SCHEMBL9215919

SCHEMBL9215919

COc1cc2c(cc1OC)C(=O)N(CC1CCCCCN(CCc3ccc4c(C)c(OC)ccc4c3)C1)CC2

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 2/20 0.41
ADRA1B P35368 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
ACHE P22303 1/20 0.38
ABCB1 P08183 1/20 0.37
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 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
SCHEMBL9204619 0.99 KDM2B (0.42) KDM2BADRA1BMAOAMAOBACHE
Hydrochloric Acid SCHEMBL9740149 0.98 KDM2B (0.41) KDM2BADRA1BMAOAMAOBABCB1
SCHEMBL9207330 0.95 KDM2B (0.41) KDM2BADRA1BMAOAMAOBACHE
SCHEMBL9215721 0.94 KDM2B (0.41) KDM2BADRA1BMAOAMAOBABCB1
SCHEMBL9209353 0.92 KDM2B (0.44) KDM2BADRA1BMAOAMAOBACHE
SCHEMBL9212391 0.91 KDM2B (0.39) KDM2BMAOAMAOBACHE
Hydrochloric Acid SCHEMBL9214727 0.90 KDM2B (0.39) KDM2BMAOAMAOB
Hydrochloric Acid SCHEMBL9211982 0.89 KDM2B (0.44) KDM2BMAOAMAOB
SCHEMBL9214059 0.89 ADRA1B (0.42) ADRA1BACHEABCB1
SCHEMBL9213423 0.88 ADRA1B (0.42) ADRA1BACHEABCB1

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