SCHEMBL5310463

SCHEMBL5310463

COc1ccccc1-c1c(C)nn(CC(C)C)c(=O)c1CCc1cccc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 8/20 0.43
CASR P41180 4/20 0.41
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
HTR7 P34969 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
SCHEMBL5311052 0.91 CASR (0.43) GNRHRCASRKDM4EL3MBTL1TAAR1
SCHEMBL5307935 0.89 TP53 (0.44) GNRHRCASRKDM4EL3MBTL1TAAR1
SCHEMBL5311327 0.87 CASR (0.52) GNRHRCASR
SCHEMBL5311895 0.87 GNRHR (0.42) GNRHRCASRKDM4EL3MBTL1TAAR1
SCHEMBL5308342 0.86 POLB (0.48) GNRHRCASRKDM4EMAPT
SCHEMBL5312354 0.86 TP53 (0.42) GNRHRCASRKDM4EL3MBTL1TAAR1
SCHEMBL5316049 0.85 HTR7 (0.43) GNRHRCASRKDM4EL3MBTL1TAAR1
SCHEMBL5308608 0.85 CHRM1 (0.41) GNRHRCASRKDM4EL3MBTL1TAAR1
SCHEMBL5307893 0.85 THRB (0.41) GNRHRCASRKDM4EMAPT
SCHEMBL14542013 0.85 MAPT (0.40) GNRHRCASRKDM4EL3MBTL1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007044796-A2 PYRIDAZINONE COMPOUNDS AS CALCILYTICS NPS PHARMACEUTICALS, INC. (US) 2007-04-19 WO disclosed
WO-2007044796-A2 PYRIDAZINONE COMPOUNDS AS CALCILYTICS NPS PHARMACEUTICALS, INC. (US) 2007-04-19 WO disclosed