SCHEMBL7323544

SCHEMBL7323544

CCCc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 6/20 0.77
HPGD P15428 4/20 0.76
SMN1; SMN2 Q16637 3/20 0.71
RECQL P46063 1/20 0.71
GABRA1 P14867 5/20 0.71
GABRA5 P31644 5/20 0.71
GABRA2 P47869 5/20 0.71
GABRB2 P47870 4/20 0.71
GABRA3 P34903 3/20 0.71
BRD4 O60885 2/20 0.71
LMNA P02545 2/20 0.71
CNR1 P21554 1/20 0.71
KDM4E B2RXH2 1/20 0.64
PDE4D Q08499 3/20 0.56
GABRG2 P18507 2/20 0.54
GABRB3 P28472 2/20 0.54
ADRA1A P35348 2/20 0.54
HTR2A P28223 1/20 0.54
TDP1 Q9NUW8 1/20 0.53
GABRP O00591 1/20 0.53

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
SCHEMBL7321230 0.91 OPRK1 (0.80) OPRK1HPGDSMN1; SMN2RECQLGABRA1
SCHEMBL11690970 0.91 OPRK1 (0.70) OPRK1HPGDSMN1; SMN2RECQLGABRA1
SCHEMBL10741552 0.90 OPRK1 (0.71) OPRK1HPGDSMN1; SMN2RECQLGABRA1
SCHEMBL7327610 0.89 OPRK1 (0.81) OPRK1HPGDSMN1; SMN2RECQLGABRA1
SCHEMBL11383138 0.89 OPRK1 (0.74) OPRK1HPGDSMN1; SMN2RECQLGABRA1
SCHEMBL10745544 0.89 OPRK1 (0.74) OPRK1HPGDSMN1; SMN2RECQLGABRA1
SCHEMBL11075404 0.89 OPRK1 (0.74) OPRK1HPGDSMN1; SMN2RECQLGABRA1
SCHEMBL11823022 0.89 OPRK1 (0.73) OPRK1HPGDSMN1; SMN2RECQLGABRA1
SCHEMBL11083227 0.89 OPRK1 (0.70) OPRK1HPGDSMN1; SMN2RECQLGABRA1
SCHEMBL11823357 0.89 OPRK1 (0.73) OPRK1HPGDSMN1; SMN2RECQLGABRA1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0345931-B1 CERTAIN PAF ANTAGONIST/ANTIHISTAMINE COMBINATIONS AND METHODS SCHERING CORPORATION (US) 1993-01-20 EP claimed
EP-0402422-A1 CERTAIN PAF ANTAGONIST ANTIHISTAMINE COMBINATIONS AND METHODS SCHERING CORPORATION (US) 1990-12-19 EP claimed
EP-0345931-A1 Certain PAF antagonist/antihistamine combinations and methods SCHERING CORPORATION (US) 1989-12-13 EP claimed
WO-1989010143-A1 CERTAIN PAF ANTAGONIST ANTIHISTAMINE COMBINATIONS AND METHODS SCHERING CORPORATION (US) 1989-11-02 WO claimed
US-3987052-A SEDATIVES, TRANQUILIZERS, MUSCLE RELAXANTS THE UPJOHN COMPANY (US) 1976-10-19 US claimed
US-5334592-A Administering for allergic reactions; thienotriazolodiazepine compounds SCHERING CORPORATION (US) 1994-08-02 US disclosed
EP-0345931-B1 CERTAIN PAF ANTAGONIST/ANTIHISTAMINE COMBINATIONS AND METHODS SCHERING CORPORATION (US) 1993-01-20 EP disclosed
EP-0402422-A1 CERTAIN PAF ANTAGONIST ANTIHISTAMINE COMBINATIONS AND METHODS SCHERING CORPORATION (US) 1990-12-19 EP disclosed
EP-0345931-A1 Certain PAF antagonist/antihistamine combinations and methods SCHERING CORPORATION (US) 1989-12-13 EP disclosed
WO-1989010143-A1 CERTAIN PAF ANTAGONIST ANTIHISTAMINE COMBINATIONS AND METHODS SCHERING CORPORATION (US) 1989-11-02 WO 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-3987052-A SEDATIVES, TRANQUILIZERS, MUSCLE RELAXANTS THE UPJOHN COMPANY (US) 1976-10-19 US disclosed