SCHEMBL5311895

SCHEMBL5311895

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

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 4/20 0.42
CASR P41180 5/20 0.42
KDM4E B2RXH2 1/20 0.41
PDE1A P54750 1/20 0.41
PDE1B Q01064 1/20 0.41
PDE1C Q14123 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
TAAR1 Q96RJ0 1/20 0.39
TSHR P16473 1/20 0.37
DPP4 P27487 1/20 0.37
P2RX7 Q99572 1/20 0.37
STK10 O94804 1/20 0.37
SLK Q9H2G2 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
SCHEMBL5311530 0.93 GNRHR (0.49) GNRHRCASR
SCHEMBL5310470 0.91 KDM4E (0.41) GNRHRCASRKDM4EL3MBTL1TAAR1
SCHEMBL5311552 0.89 KDM4E (0.48) GNRHRKDM4EPDE1APDE1BPDE1C
SCHEMBL5313086 0.89 GNRHR (0.40) GNRHRCASRKDM4EL3MBTL1TAAR1
SCHEMBL5311941 0.88 GNRHR (0.40) GNRHRCASRP2RX7
SCHEMBL5310463 0.87 GNRHR (0.43) GNRHRCASRKDM4EL3MBTL1TAAR1
SCHEMBL5308386 0.86 CASR (0.54) CASR
SCHEMBL5311052 0.85 CASR (0.43) GNRHRCASRKDM4EL3MBTL1TAAR1
SCHEMBL5307935 0.85 TP53 (0.44) GNRHRCASRKDM4EL3MBTL1TAAR1
SCHEMBL5307986 0.83 CASR (0.45) GNRHRCASR

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