SCHEMBL9664338

SCHEMBL9664338

C=CCC1(C=O)CC2C=CC1C2

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL1698144 0.81 CYP2D6 (0.49) CYP2D6CYP2C19
SCHEMBL1698141 0.81 CYP2D6 (0.49) CYP2D6CYP2C19
SCHEMBL1698146 0.81 CYP2D6 (0.49) CYP2D6CYP2C19
SCHEMBL11393510 0.80 CYP2D6 (0.37) CYP2D6CYP2C19
SCHEMBL1141590 0.77 CYP2D6 (0.41) CYP2D6CYP2C19
SCHEMBL13320133 0.77 CYP2D6 (0.36) CYP2D6CYP2C19
SCHEMBL11736269 0.73 CYP2D6 (0.37) CYP2D6CYP2C19
SCHEMBL11613246 0.73 CYP2D6 (0.33) CYP2D6CYP2C19
SCHEMBL3110268 0.72 CYP2D6 (0.42) CYP2D6CYP2C19
SCHEMBL31695302 0.69 CYP2D6 (0.34) CYP2D6CYP2C19

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0281121-B1 1-(1-ARYL-2-HYDROXY-ETHYL)-IMIDAZOLES AND THEIR SALTS, PROCESSES FOR THEIR PREPARATION, DRUGS CONTAINING THEM AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1992-04-29 EP disclosed
US-4999352-A Antidepressants or fungicides HOECHST AKTIENGESELLSCHAFT (DE) 1991-03-12 US disclosed
EP-0281121-A1 1-(1-Aryl-2-hydroxy-ethyl)-imidazoles and their salts, processes for their preparation, drugs containing them and their use HOECHST AKTIENGESELLSCHAFT (DE) 1988-09-07 EP disclosed