SCHEMBL8878960

SCHEMBL8878960

CCc1cc2c(s1)-n1c(C)nnc1CN=C2c1ccc(Cl)cc1

nearest known ligand 0.74

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.74
PDE4D Q08499 1/20 0.74
BRD4 O60885 2/20 0.57
PTAFR P25105 15/20 0.55
LMNA P02545 2/20 0.53
GABRA1 P14867 1/20 0.53
HPGD P15428 1/20 0.53
CNR1 P21554 1/20 0.53
GABRA5 P31644 1/20 0.53
GABRA3 P34903 1/20 0.53
GABRA2 P47869 1/20 0.53
GABRB2 P47870 1/20 0.53
CYP3A4 P08684 1/20 0.49
ALOX15 P16050 1/20 0.49
ALDH1A1 P00352 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL8928436 0.89 OPRK1 (0.77) OPRK1PDE4DBRD4PTAFRLMNA
SCHEMBL10465293 0.88 PTAFR (0.62) OPRK1PDE4DBRD4PTAFRLMNA
SCHEMBL9522870 0.88 PTAFR (0.62) OPRK1PDE4DBRD4PTAFRLMNA
SCHEMBL8928788 0.86 OPRK1 (0.56) OPRK1PDE4DBRD4PTAFRLMNA
Etizolam SCHEMBL42920 0.85 OPRK1 (1.00) OPRK1PDE4DPTAFRCYP3A4ALOX15
Etizolam SCHEMBL30665015 0.85 OPRK1 (1.00) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL9669241 0.82 PTAFR (0.56) OPRK1PDE4DBRD4PTAFRLMNA
SCHEMBL9864381 0.81 OPRK1 (0.57) OPRK1PDE4DPTAFRLMNACYP3A4
Etizolam SCHEMBL10869413 0.81 OPRK1 (0.90) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL8928407 0.80 OPRK1 (0.79) OPRK1PDE4DPTAFRGABRA1GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5593988-A DIAZIPINE DERIVATIVES OF THIOPHENE FOR BONE DISORDERS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-01-14 US disclosed
EP-0661284-A1 THIENODIAZEPINE COMPOUND AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1995-07-05 EP disclosed
EP-0638560-A1 REMEDY FOR OSTEOPOROSIS AND DIAZEPINE COMPOUND YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1995-02-15 EP disclosed