SCHEMBL9207330

SCHEMBL9207330

COc1ccc2cc(CCN3CCCCCC(CN4CCc5cc(C)c(C)cc5C4=O)C3)ccc2c1C

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 7/20 0.41
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ADRA1B P35368 1/20 0.35
GRM5 P41594 1/20 0.35
GAA P10253 1/20 0.34
ABCB1 P08183 1/20 0.34
ACHE P22303 1/20 0.33

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
SCHEMBL9215721 0.99 KDM2B (0.41) KDM2BMAOAMAOBMEN1KMT2A
SCHEMBL9209353 0.97 KDM2B (0.44) KDM2BMAOAMAOBMEN1KMT2A
SCHEMBL9215919 0.95 KDM2B (0.41) KDM2BMAOAMAOBADRA1BABCB1
SCHEMBL9204619 0.94 KDM2B (0.42) KDM2BMAOAMAOBMEN1KMT2A
Hydrochloric Acid SCHEMBL9740149 0.93 KDM2B (0.41) KDM2BMAOAMAOBMEN1KMT2A
Bromide SCHEMBL9206535 0.93 KDM2B (0.39) KDM2BADRA1BABCB1ACHE
SCHEMBL9212391 0.91 KDM2B (0.39) KDM2BMAOAMAOBKMT2AACHE
Hydrochloric Acid SCHEMBL9214727 0.89 KDM2B (0.39) KDM2BMAOAMAOBMEN1KMT2A
Hydrochloric Acid SCHEMBL9214496 0.88 CYP3A4 (0.42) MEN1KMT2AADRA1BGAA
Hydrochloric Acid SCHEMBL9215495 0.87 KDM2B (0.41) KDM2BMAOAMAOBMEN1KMT2A

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