SCHEMBL8928848

SCHEMBL8928848

CCc1cc2c(s1)-n1c(nnc1CNC(=O)c1cc3ccccc3[nH]1)CN=C2c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.44
PDE4D Q08499 1/20 0.44
MIF P14174 2/20 0.44
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 1/20 0.39
PTGS2 P35354 1/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
HTR2C P28335 1/20 0.38
CCKBR P32239 5/20 0.38
CCKAR P32238 4/20 0.38
ADRB2 P07550 1/20 0.38
TSPO P30536 1/20 0.38
GLP1R P43220 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HDAC3 O15379 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
SCHEMBL8928590 0.94 OPRK1 (0.46) OPRK1PDE4DMIFRECQLSMN1; SMN2
SCHEMBL8928421 0.91 OPRK1 (0.57) OPRK1PDE4DMIF
SCHEMBL8928679 0.91 MIF (0.45) OPRK1MIFRECQLSMN1; SMN2HPGD
SCHEMBL8928781 0.86 MIF (0.46) OPRK1MIFRECQLSMN1; SMN2HPGD
SCHEMBL8928523 0.85 PTAFR (0.49) OPRK1PDE4DMIF
SCHEMBL8928615 0.84 OPRK1 (0.55) OPRK1PDE4DMIF
SCHEMBL8928487 0.84 OPRK1 (0.46) OPRK1PDE4DMIF
SCHEMBL8928636 0.84 MIF (0.44) OPRK1MIFDRD2DRD3HTR2C
SCHEMBL8928639 0.84 OPRK1 (0.55) OPRK1PDE4DDRD2DRD3
SCHEMBL8928499 0.83 OPRK1 (0.53) OPRK1PDE4DDRD2DRD3

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