SCHEMBL6060113

SCHEMBL6060113

c1ccc(C2=NCc3nncn3-c3ccccc32)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.72
PDE4D Q08499 1/20 0.72
GABRA1 P14867 4/20 0.50
GABRA5 P31644 4/20 0.50
GABRA2 P47869 4/20 0.50
GABRB2 P47870 4/20 0.50
GABRA3 P34903 2/20 0.50
CCKBR P32239 2/20 0.50
GABRG2 P18507 1/20 0.50
GABRB3 P28472 1/20 0.50
BRD4 O60885 2/20 0.46
PTAFR P25105 1/20 0.43
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
CNR1 P21554 1/20 0.41
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11838406 0.86 OPRK1 (0.55) OPRK1PDE4DGABRA1GABRA5GABRA2
SCHEMBL11838409 0.86 OPRK1 (0.55) OPRK1PDE4DGABRA1GABRA5GABRA2
Estazolam SCHEMBL29357458 0.84 OPRK1 (1.00) OPRK1PDE4DGABRA1GABRA5GABRA2
Estazolam SCHEMBL28766 0.84 OPRK1 (1.00) OPRK1PDE4DGABRA1GABRA5GABRA2
SCHEMBL11108528 0.84 OPRK1 (0.74) OPRK1PDE4DGABRA1GABRA5GABRA2
SCHEMBL11883943 0.83 OPRK1 (0.58) OPRK1PDE4DGABRA1GABRA5GABRA2
SCHEMBL7328162 0.82 OPRK1 (0.71) OPRK1PDE4DGABRA1GABRA5GABRA2
SCHEMBL11655855 0.82 OPRK1 (0.51) OPRK1PDE4DGABRA1GABRA5GABRA2
SCHEMBL5816680 0.81 OPRK1 (0.73) OPRK1PDE4DGABRA1GABRA5GABRA2
SCHEMBL14215472 0.80 OPRK1 (0.49) OPRK1PDE4DGABRA1GABRA5GABRA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3987052-A SEDATIVES, TRANQUILIZERS, MUSCLE RELAXANTS THE UPJOHN COMPANY (US) 1976-10-19 US claimed
EP-4126869-B1 BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAMS HOFFMANN LA ROCHE (CH) 2024-06-05 EP disclosed
EP-4139310-B1 BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM HOFFMANN LA ROCHE (CH) 2024-03-27 EP disclosed
US-7074388-B2 Water stabilized medicinal aerosol formulation KOS LIFE SCIENCE, INC. (US) 2006-07-11 US disclosed
EP-1569617-A1 WATER STABILIZED MEDICINAL AEROSOL FORMULATION RELATED APPLICATIONS Kos Life Sciences, Inc. (US) 2005-09-07 EP disclosed
WO-2004022035-A1 WATER STABILIZED MEDICINAL AEROSOL FORMULATION RELATED APPLICATIONS KOS PHARMACEUTICALS, INC. (US) 2004-03-18 WO disclosed
US-20030091512-A1 Water stabilized medicinal aerosol formulation KOS LIFE SCIENCES, INC. 2003-05-15 US disclosed
EP-1301173-A1 A MEDICINAL AEROSOL FORMULATION Aeropharm Technology Incorporated (US) 2003-04-16 EP disclosed
US-6458338-B1 Amino acid stabilized medicinal aerosol formulations AEROPHARM TECHNOLOGY INCORPORATED 2002-10-01 US disclosed
WO-2002015883-A1 A METHOD OF STABILIZING A DRY POWDER PHARMACEUTICAL FORMULATION AEROPHARM TECHNOLOGY INCORPORATED (US) 2002-02-28 WO disclosed
US-4180668-A Piperidino-4H-s-triazolo[4,3-a][1,4]benzodiazepines THE UPJOHN COMPANY (US) 1979-12-25 US disclosed
US-4000289-A 6-PHENYL-4H-S-TRIAZOLO(4,3-A)(1,4)BENZODIAZEPINES THE UPJOHN COMPANY (US) 1976-12-28 US disclosed
US-3993660-A 2-[3-(Phthalimidomethyl)-5-methyl-4H-1,2,4-triazol-4-yl]benzophenones THE UPJOHN COMPANY (US) 1976-11-23 US disclosed
US-3993660-A 2-[3-(Phthalimidomethyl)-5-methyl-4H-1,2,4-triazol-4-yl]benzophenones THE UPJOHN COMPANY (US) 1976-11-23 US disclosed
US-3987052-A SEDATIVES, TRANQUILIZERS, MUSCLE RELAXANTS THE UPJOHN COMPANY (US) 1976-10-19 US disclosed
US-3987052-A SEDATIVES, TRANQUILIZERS, MUSCLE RELAXANTS THE UPJOHN COMPANY (US) 1976-10-19 US disclosed
US-3987052-A SEDATIVES, TRANQUILIZERS, MUSCLE RELAXANTS THE UPJOHN COMPANY (US) 1976-10-19 US disclosed
US-3886174-A 1-Substituted-6-phenyl-4H-s-triazolo{8 4,3-a{9 {8 1,4{9 benzodiazepines UPJOHN CO 1975-05-27 US disclosed
US-3879413-A Process for the production of 6-phenyl-4-H-s-triazolo {8 4,3-a{9 {8 1,4{9 benzodiazepines UPJOHN CO 1975-04-22 US disclosed
US-3709899-A 6-PHENYL-4H-S-TRIAZOLO(4,3-A)(1,4)BENZODIAZEPINES AND THEIR PRODUCTION UPJOHN CO 1973-01-09 US disclosed