SCHEMBL8928566

SCHEMBL8928566

CCc1cc2c(s1)-n1c(CN)nnc1CN=C2c1cccc(Cl)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 3/20 0.56
PDE4D Q08499 1/20 0.56
HPGD P15428 3/20 0.43
PTAFR P25105 12/20 0.43
RECQL P46063 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
BRD4 O60885 1/20 0.41
LMNA P02545 1/20 0.41
GABRA1 P14867 1/20 0.41
CNR1 P21554 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL8928788 0.89 OPRK1 (0.56) OPRK1PDE4DHPGDPTAFRRECQL
SCHEMBL8928633 0.89 OPRK1 (0.58) OPRK1PDE4DHPGDPTAFRRECQL
SCHEMBL8928613 0.88 OPRK1 (0.46) OPRK1PDE4DHPGDPTAFRRECQL
SCHEMBL8928568 0.85 OPRK1 (0.76) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL8928493 0.79 OPRK1 (0.46) OPRK1PDE4DHPGDPTAFRRECQL
SCHEMBL8928449 0.78 OPRK1 (0.80) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL8929065 0.78 OPRK1 (0.64) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL8928534 0.78 OPRK1 (0.73) OPRK1PDE4DPTAFRCYP3A4ALOX15
SCHEMBL9523373 0.77 PTAFR (0.62) OPRK1PDE4DHPGDPTAFRBRD4
SCHEMBL8928600 0.77 OPRK1 (0.47) OPRK1PDE4DHPGDPTAFRRECQL

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