SCHEMBL7401768

SCHEMBL7401768

N#Cc1ccc(CCCC[C@@H]2C[C@@H](c3ccccc3)CC(=O)O2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 4/20 0.41
PRKCD Q05655 4/20 0.41
PRKCG P05129 2/20 0.39
PRKCB P05771 2/20 0.39
PRKCH P24723 2/20 0.39
PRKCE Q02156 2/20 0.39
PRKCQ Q04759 2/20 0.39
GRM2 Q14416 2/20 0.39
KDM1A O60341 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
CYP19A1 P11511 1/20 0.34
HTR1A P08908 1/20 0.34
DRD4 P21917 1/20 0.34
HTR2A P28223 1/20 0.34

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
SCHEMBL7401923 1.00 PRKCA (0.41) PRKCAPRKCDPRKCGPRKCBPRKCH
SCHEMBL7401925 1.00 PRKCA (0.41) PRKCAPRKCDPRKCGPRKCBPRKCH
SCHEMBL7401771 1.00 PRKCA (0.41) PRKCAPRKCDPRKCGPRKCBPRKCH
SCHEMBL7401776 1.00 PRKCA (0.41) PRKCAPRKCDPRKCGPRKCBPRKCH
SCHEMBL7401654 0.82 GRM2 (0.42) PRKCAPRKCDGRM2TSHRHSD17B10
SCHEMBL7401650 0.82 GRM2 (0.42) PRKCAPRKCDGRM2TSHRHSD17B10
SCHEMBL7405665 0.82 GRM2 (0.42) PRKCAPRKCDGRM2TSHRHSD17B10
SCHEMBL7401646 0.82 GRM2 (0.42) PRKCAPRKCDGRM2TSHRHSD17B10
SCHEMBL7405668 0.82 GRM2 (0.42) PRKCAPRKCDGRM2TSHRHSD17B10
SCHEMBL7398691 0.81 F2 (0.43) PRKCAPRKCDPRKCGPRKCBPRKCH

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