SCHEMBL9758660

SCHEMBL9758660

C[C@H](COS(C)(=O)=O)N1c2ccc(Cl)cc2Sc2ccc(C#N)cc21

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 6/20 0.33
CNR1 P21554 1/20 0.32
PTGES2 Q9H7Z7 2/20 0.32
S1PR1 P21453 1/20 0.32
SNCA P37840 1/20 0.31
SLC6A4 P31645 1/20 0.31
TBXA2R P21731 1/20 0.31
BCHE P06276 2/20 0.31
ACHE P22303 2/20 0.31

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
SCHEMBL9758655 1.00 TRPV4 (0.33) TRPV4CNR1PTGES2S1PR1SNCA
SCHEMBL9331943 0.89 LMNA (0.39) SLC6A4TBXA2RBCHEACHE
SCHEMBL9331489 0.89 LMNA (0.39) SLC6A4TBXA2RBCHEACHE
SCHEMBL9759105 0.83 HRH3 (0.35) SNCASLC6A4TBXA2RBCHEACHE
SCHEMBL9759102 0.83 HRH3 (0.35) SNCASLC6A4TBXA2RBCHEACHE
SCHEMBL9759769 0.79 CYP1A2 (0.35) SNCASLC6A4TBXA2RACHE
SCHEMBL9759772 0.79 CYP1A2 (0.35) SNCASLC6A4TBXA2RACHE
SCHEMBL9759290 0.79 SNCA (0.32) S1PR1SNCASLC6A4TBXA2RACHE
SCHEMBL9759293 0.79 SNCA (0.32) S1PR1SNCASLC6A4TBXA2RACHE
SCHEMBL9759191 0.78 HTR1A (0.36) CNR1SLC6A4TBXA2RACHE

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