SCHEMBL7977966

SCHEMBL7977966

CCOC(=O)CCC(C(=O)N1CCCC1)c1ccc2nc(Cc3ccc(C#N)cc3)n(C)c2c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.40
BCHE P06276 4/20 0.40
CNR1 P21554 2/20 0.39
USP14 P54578 6/20 0.38
GLP1R P43220 1/20 0.37
ACSL1 P33121 2/20 0.36
PPARG P37231 1/20 0.35
RORC P51449 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
SCN9A Q15858 1/20 0.33

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
SCHEMBL7985021 0.94 CNR2 (0.43) CNR2BCHECNR1USP14ACSL1
SCHEMBL7968268 0.84 F2 (0.45) CNR2BCHECNR1USP14MEN1
SCHEMBL8144612 0.72 ACSL1 (0.39) CNR2BCHECNR1ACSL1RORC
SCHEMBL7967843 0.72 F2 (0.43) CNR2BCHECNR1USP14MEN1
SCHEMBL8016341 0.71 GAA (0.41) CNR2BCHEACSL1RORCMEN1
SCHEMBL8026757 0.71 CNR2 (0.45) CNR2BCHECNR1ACSL1RORC
Hydrochloric Acid SCHEMBL7968183 0.70 F2 (0.60) CNR2BCHECNR1
SCHEMBL8032446 0.69 AGTR1 (0.44) CNR2CNR1ACSL1PPARGMEN1
SCHEMBL8028272 0.69 CNR2 (0.60) CNR2BCHECNR1
SCHEMBL8016596 0.69 F2 (0.45) CNR2BCHEUSP14ACSL1RORC

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
US-6200976-B1 FOR TREATING THROMBOSIS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-03-13 US disclosed