SCHEMBL9208294

SCHEMBL9208294

COc1ccc2c(CC(O)CN3CCCC(CN4CCc5cc6c(cc5C4=O)OCO6)C3)cccc2c1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 15/20 0.42
WDR77 Q9BQA1 15/20 0.42
RAB9A P51151 1/20 0.38

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
Hydrochloric Acid SCHEMBL9206928 0.98 PRMT5 (0.40) PRMT5WDR77RAB9A
SCHEMBL9210433 0.91 PRMT5 (0.41) PRMT5WDR77
SCHEMBL9206696 0.90 PRMT5 (0.38) PRMT5WDR77RAB9A
SCHEMBL9742144 0.90 PRMT5 (0.43) PRMT5WDR77
SCHEMBL9211468 0.89 PRMT5 (0.41) PRMT5WDR77
Hydrochloric Acid SCHEMBL9215883 0.89 PRMT5 (0.43) PRMT5WDR77
Hydrochloric Acid SCHEMBL9212963 0.89 PRMT5 (0.40) PRMT5WDR77
SCHEMBL9206642 0.89 PRMT5 (0.40) PRMT5WDR77
SCHEMBL9213257 0.88 PRMT5 (0.42) PRMT5WDR77
Hydrochloric Acid SCHEMBL9215384 0.88 PRMT5 (0.40) PRMT5WDR77

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