SCHEMBL8928679

SCHEMBL8928679

Cc1cc2c(s1)-n1c(nnc1CNC(=O)c1cc3ccccc3[nH]1)CN=C2c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MIF P14174 2/20 0.45
OPRK1 P41145 1/20 0.44
HPGD P15428 1/20 0.40
RECQL P46063 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTR2C P28335 1/20 0.39
CCKBR P32239 6/20 0.39
CCKAR P32238 5/20 0.39
ADRB2 P07550 1/20 0.39
TSPO P30536 1/20 0.39
GLP1R P43220 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
PYGL P06737 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL8928848 0.91 OPRK1 (0.44) MIFOPRK1HPGDRECQLSMN1; SMN2
SCHEMBL8928781 0.87 MIF (0.46) MIFOPRK1HPGDRECQLSMN1; SMN2
SCHEMBL8928636 0.87 MIF (0.44) MIFOPRK1HTR2CDRD2DRD3
SCHEMBL8928590 0.85 OPRK1 (0.46) MIFOPRK1HPGDRECQLSMN1; SMN2
SCHEMBL8928549 0.82 MIF (0.43) MIFOPRK1
SCHEMBL8928601 0.82 PTAFR (0.44) MIFOPRK1
SCHEMBL8928421 0.82 OPRK1 (0.57) MIFOPRK1
SCHEMBL8928487 0.81 OPRK1 (0.46) MIFOPRK1
SCHEMBL8928371 0.81 HPGD (0.45) OPRK1HPGDRECQLSMN1; SMN2KDM4E
SCHEMBL8928678 0.81 MEN1 (0.39) OPRK1HPGDRECQLSMN1; SMN2CCKAR

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