SCHEMBL9759641

SCHEMBL9759641

CC(C(=O)O)N1c2ccc(Cl)cc2Sc2ccc(C#N)cc21

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.39
ACHE P22303 5/20 0.39
SNCA P37840 1/20 0.36
HSD17B3 P37058 2/20 0.35
CCR2 P41597 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
SCHEMBL9759648 1.00 BCHE (0.39) BCHEACHESNCAHSD17B3CCR2
SCHEMBL9331523 0.86 BCHE (0.45) BCHEACHE
SCHEMBL9332010 0.86 BCHE (0.45) BCHEACHE
SCHEMBL9759105 0.83 HRH3 (0.35) BCHEACHESNCAHSD17B3
SCHEMBL9759102 0.83 HRH3 (0.35) BCHEACHESNCAHSD17B3
SCHEMBL9758660 0.78 TRPV4 (0.33) BCHEACHESNCA
SCHEMBL9758655 0.78 TRPV4 (0.33) BCHEACHESNCA
SCHEMBL9759772 0.77 CYP1A2 (0.35) ACHESNCA
SCHEMBL9759769 0.77 CYP1A2 (0.35) ACHESNCA
SCHEMBL9759293 0.77 SNCA (0.32) ACHESNCA

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-4985419-A Analgesics, Diuretics RHONE-POULENC SANTE (FR) 1991-01-15 US disclosed