SCHEMBL9212352

SCHEMBL9212352

COc1cc2c(cc1OC)CC(=O)N(CC1CCCCN(CCc3cccc(C)n3)C1)C=C2

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.43
BCHE P06276 4/20 0.43
HCN4 Q9Y3Q4 5/20 0.40
BRD4 O60885 1/20 0.40
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DRD4 P21917 1/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PKM P14618 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
SCHEMBL9212968 0.94 ACHE (0.48) ACHEBCHEHCN4BRD4MEN1
Hydrochloric Acid SCHEMBL9739487 0.94 ACHE (0.47) ACHEBCHEHCN4BRD4MEN1
SCHEMBL9216817 0.84 BCHE (0.38) ACHEBCHEMEN1KMT2ANPSR1
SCHEMBL9206874 0.83 BCHE (0.42) ACHEBCHEHCN4MEN1KMT2A
Hydrochloric Acid SCHEMBL9740423 0.83 CYP3A4 (0.42) ACHEBCHEHCN4MEN1KMT2A
SCHEMBL9214063 0.81 BCHE (0.44) ACHEBCHEMEN1KMT2ANPSR1
SCHEMBL9739668 0.81 HCN4 (0.54) HCN4BRD4MEN1KMT2AALDH1A1
SCHEMBL9740380 0.81 HCN4 (0.54) HCN4BRD4MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL10766227 0.80 HCN4 (0.53) HCN4BRD4MEN1KMT2A
SCHEMBL9738909 0.80 BCHE (0.44) ACHEBCHEBRD4DRD4

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