SCHEMBL8928613

SCHEMBL8928613

Cc1cc2c(s1)-n1c(CN)nnc1CN=C2c1cccc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 4/20 0.46
HPGD P15428 3/20 0.45
LMNA P02545 2/20 0.44
GABRA1 P14867 2/20 0.44
GABRA5 P31644 2/20 0.44
GABRA3 P34903 2/20 0.44
GABRA2 P47869 2/20 0.44
BRD4 O60885 2/20 0.44
CNR1 P21554 1/20 0.44
GABRB2 P47870 1/20 0.44
PDE4D Q08499 2/20 0.43
PTAFR P25105 9/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
RECQL P46063 1/20 0.41
ALDH1A1 P00352 1/20 0.40
GABRG2 P18507 1/20 0.39
HTR2A P28223 1/20 0.39
GABRB3 P28472 1/20 0.39
ADRA1A P35348 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL8928600 0.89 OPRK1 (0.47) OPRK1HPGDLMNAGABRA1GABRA5
SCHEMBL8928566 0.88 OPRK1 (0.56) OPRK1HPGDLMNAGABRA1GABRA5
SCHEMBL8928550 0.85 OPRK1 (0.60) OPRK1GABRA1GABRA5GABRA3GABRA2
SCHEMBL8928520 0.80 HPGD (0.41) OPRK1HPGDLMNAGABRA1GABRA5
SCHEMBL8928788 0.77 OPRK1 (0.56) OPRK1HPGDLMNAGABRA1GABRA5
SCHEMBL8928633 0.76 OPRK1 (0.58) OPRK1HPGDLMNAGABRA1GABRA5
SCHEMBL8928426 0.74 GABRA1 (0.59) OPRK1HPGDLMNAGABRA1GABRA5
SCHEMBL11508821 0.74 OPRK1 (0.57) OPRK1GABRA1GABRA5GABRA3GABRA2
SCHEMBL8928568 0.73 OPRK1 (0.76) OPRK1PDE4DPTAFR
SCHEMBL7326170 0.72 OPRK1 (0.77) OPRK1HPGDLMNAGABRA1GABRA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0776892-A1 THIENYLAZOLE COMPOUND AND THIENOTRIAZOLODIAZEPINE COMPOUND YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-06-04 EP disclosed