SCHEMBL9212638

SCHEMBL9212638

COc1cc2c(cc1OC)C(=O)N(CC1CCN(CCc3cccc(C)n3)C1)C2

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACHE P22303 10/20 0.53
BCHE P06276 8/20 0.53
ADRA1B P35368 1/20 0.41

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
SCHEMBL9215697 0.94 ACHE (0.47) ACHEBCHEADRA1B
SCHEMBL9204663 0.92 ACHE (0.52) ACHEBCHEADRA1B
SCHEMBL9212375 0.85 KDM4E (0.41) ACHEBCHE
SCHEMBL9217614 0.85 ACHE (0.50) ACHEBCHEADRA1B
SCHEMBL9207618 0.82 ACHE (0.47) ACHEBCHEADRA1B
SCHEMBL9206874 0.80 BCHE (0.42) ACHEBCHEADRA1B
Hydrochloric Acid SCHEMBL9740423 0.79 CYP3A4 (0.42) ACHEBCHEADRA1B
SCHEMBL9214063 0.79 BCHE (0.44) ACHEBCHEADRA1B
SCHEMBL9211577 0.79 BCHE (0.46) ACHEBCHEADRA1B
SCHEMBL9212968 0.78 ACHE (0.48) ACHEBCHE

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-0292840-B1 Cyclic amine derivatives, medicaments containing these compounds and procedure for their preparation THOMAE GMBH DR K (DE) 1995-08-09 EP disclosed
US-5175157-A Cardiovascular disorders BOEHRINGER INGELHEIM GMBH (DE) 1992-12-29 US disclosed
EP-0292840-A2 Cyclic amine derivatives, medicaments containing these compounds and procedure for their preparation Dr. Karl Thomae GmbH (DE) 1988-11-30 EP disclosed