SCHEMBL7401646

SCHEMBL7401646

N#Cc1ccc(CCCC[C@@H]2C[C@@H](O)CC(=O)O2)cc1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PRKCA P17252 1/20 0.40
PRKCD Q05655 1/20 0.40

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
SCHEMBL7401650 1.00 GRM2 (0.42) GRM2TSHRHSD17B10PRKCAPRKCD
SCHEMBL7401654 1.00 GRM2 (0.42) GRM2TSHRHSD17B10PRKCAPRKCD
SCHEMBL7405665 1.00 GRM2 (0.42) GRM2TSHRHSD17B10PRKCAPRKCD
SCHEMBL7405668 1.00 GRM2 (0.42) GRM2TSHRHSD17B10PRKCAPRKCD
SCHEMBL7405051 0.83 GRM2 (0.39) GRM2TSHRHSD17B10PRKCAPRKCD
SCHEMBL7401150 0.83 GRM2 (0.39) GRM2TSHRHSD17B10PRKCAPRKCD
SCHEMBL7405053 0.83 GRM2 (0.39) GRM2TSHRHSD17B10PRKCAPRKCD
SCHEMBL7401148 0.83 GRM2 (0.39) GRM2TSHRHSD17B10PRKCAPRKCD
SCHEMBL7401145 0.83 GRM2 (0.39) GRM2TSHRHSD17B10PRKCAPRKCD
SCHEMBL7401768 0.82 PRKCA (0.41) GRM2TSHRHSD17B10PRKCAPRKCD

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
US-5646183-A Phenyl amidine alkanoic acids useful as platelet aggregation inhibitors G. D. SEARLE & CO. (US) 1997-07-08 US disclosed
WO-1994000424-A1 PHENYL AMIDINE ALKANOIC ACIDS AND LACTONES USEFUL AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-01-06 WO disclosed