SCHEMBL7314825

SCHEMBL7314825

CNCc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.77
OPRK1 P41145 7/20 0.76
SMN1; SMN2 Q16637 3/20 0.75
RECQL P46063 1/20 0.75
GABRA1 P14867 5/20 0.69
GABRA5 P31644 5/20 0.69
GABRA2 P47869 5/20 0.69
GABRB2 P47870 4/20 0.69
GABRA3 P34903 3/20 0.69
BRD4 O60885 2/20 0.69
LMNA P02545 2/20 0.69
CNR1 P21554 1/20 0.69
KDM4E B2RXH2 1/20 0.62
PDE4D Q08499 3/20 0.55
GABRG2 P18507 2/20 0.53
GABRB3 P28472 2/20 0.53
ADRA1A P35348 2/20 0.53
HTR2A P28223 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
GABRP O00591 1/20 0.52

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
SCHEMBL11823357 0.90 OPRK1 (0.73) HPGDOPRK1SMN1; SMN2RECQLGABRA1
SCHEMBL11601414 0.89 HPGD (0.74) HPGDOPRK1SMN1; SMN2RECQLGABRA1
SCHEMBL11384511 0.88 GABRA1 (0.70) HPGDOPRK1SMN1; SMN2RECQLGABRA1
SCHEMBL7321230 0.88 OPRK1 (0.80) HPGDOPRK1SMN1; SMN2RECQLGABRA1
SCHEMBL11361255 0.87 GABRA1 (0.69) HPGDOPRK1SMN1; SMN2RECQLGABRA1
SCHEMBL11733783 0.87 HPGD (0.70) HPGDOPRK1SMN1; SMN2RECQLGABRA1
SCHEMBL7323595 0.87 OPRK1 (0.75) HPGDOPRK1SMN1; SMN2RECQLGABRA1
SCHEMBL10738545 0.87 OPRK1 (0.78) HPGDOPRK1SMN1; SMN2RECQLGABRA1
SCHEMBL11754993 0.87 HPGD (0.70) HPGDOPRK1SMN1; SMN2RECQLGABRA1
SCHEMBL11601149 0.87 OPRK1 (0.71) HPGDOPRK1SMN1; 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0219541-B1 TREATMENT OF PREMENSTRUAL SYNDROMES USING TRIAZOLOBENZODIAZEPINES THE UPJOHN COMPANY (US) 1989-09-20 EP claimed
EP-0219541-A1 TREATMENT OF PREMENSTRUAL SYNDROMES USING TRIAZOLOBENZODIAZEPINES. UPJOHN CO (US) 1987-04-29 EP claimed
WO-1986006631-A2 TREATMENT OF PREMENSTRUAL SYNDROMES USING TRIAZOLOBENZODIAZEPINES THE UPJOHN COMPANY (US) 1986-11-20 WO claimed
US-4264615-A ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1981-04-28 US claimed
EP-0219541-B1 TREATMENT OF PREMENSTRUAL SYNDROMES USING TRIAZOLOBENZODIAZEPINES THE UPJOHN COMPANY (US) 1989-09-20 EP disclosed
EP-0219541-A1 TREATMENT OF PREMENSTRUAL SYNDROMES USING TRIAZOLOBENZODIAZEPINES. UPJOHN CO (US) 1987-04-29 EP disclosed
WO-1986006631-A2 TREATMENT OF PREMENSTRUAL SYNDROMES USING TRIAZOLOBENZODIAZEPINES THE UPJOHN COMPANY (US) 1986-11-20 WO disclosed
US-4264615-A ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1981-04-28 US disclosed
US-4250094-A SEDATIVES, TRANQUILIZERS, MUSCLE RELAXANTS, AND ANTIDEPRESSANTS THE UPJOHN COMPANY (US) 1981-02-10 US disclosed
US-4235775-A Triazolobenzodiazepine derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1980-11-25 US disclosed