SCHEMBL9212968

SCHEMBL9212968

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

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.48
BCHE P06276 4/20 0.48
BRD4 O60885 1/20 0.41
HCN4 Q9Y3Q4 5/20 0.41
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
DRD4 P21917 1/20 0.35

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 SCHEMBL9739487 0.99 ACHE (0.47) ACHEBCHEBRD4HCN4MEN1
SCHEMBL9212352 0.94 ACHE (0.43) ACHEBCHEBRD4HCN4MEN1
SCHEMBL9216817 0.90 BCHE (0.38) ACHEBCHEMEN1KMT2ANPSR1
SCHEMBL9739670 0.83 HCN4 (0.55) BRD4HCN4
SCHEMBL9217614 0.81 ACHE (0.50) ACHEBCHEMEN1KMT2ANPSR1
SCHEMBL9215863 0.79 BRD4 (0.40) ACHEBRD4HCN4
SCHEMBL9740380 0.78 HCN4 (0.54) BRD4HCN4MEN1KMT2A
SCHEMBL9739668 0.78 HCN4 (0.54) BRD4HCN4MEN1KMT2A
SCHEMBL9212638 0.78 ACHE (0.53) ACHEBCHE
SCHEMBL9207618 0.77 ACHE (0.47) 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