SCHEMBL8928600

SCHEMBL8928600

Cc1cc2c(s1)-n1c(CN)nnc1CN=C2c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 3/20 0.47
HPGD P15428 3/20 0.46
GABRA1 P14867 3/20 0.46
GABRA5 P31644 3/20 0.46
GABRA2 P47869 3/20 0.46
GABRB2 P47870 3/20 0.46
BRD4 O60885 2/20 0.46
LMNA P02545 1/20 0.46
CNR1 P21554 1/20 0.46
GABRA3 P34903 1/20 0.46
PDE4D Q08499 1/20 0.44
PTAFR P25105 9/20 0.43
RECQL P46063 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL8928613 0.89 OPRK1 (0.46) OPRK1HPGDGABRA1GABRA5GABRA2
SCHEMBL8928633 0.87 OPRK1 (0.58) OPRK1HPGDGABRA1GABRA5GABRA2
SCHEMBL8928550 0.87 OPRK1 (0.60) OPRK1GABRA1GABRA5GABRA2GABRA3
SCHEMBL8928426 0.85 GABRA1 (0.59) OPRK1HPGDGABRA1GABRA5GABRA2
SCHEMBL8928945 0.81 OPRK1 (0.44) OPRK1HPGDGABRA1GABRA5GABRA2
SCHEMBL8928450 0.80 OPRK1 (0.40) OPRK1HPGDGABRA1GABRA5GABRA2
SCHEMBL11037044 0.77 OPRK1 (0.56) OPRK1HPGDGABRA1GABRA5GABRA2
SCHEMBL8928788 0.77 OPRK1 (0.56) OPRK1HPGDGABRA1GABRA5GABRA2
SCHEMBL8928566 0.77 OPRK1 (0.56) OPRK1HPGDGABRA1GABRA5GABRA2
SCHEMBL8928437 0.76 HPGD (0.41) HPGDRECQLSMN1; SMN2KDM4E

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