SCHEMBL9740763

SCHEMBL9740763

COc1cccc(CCN2CCCC(CN3CCc4cc(OC)c(OC)cc4CC3=O)C2)c1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
DHCR7 Q9UBM7 1/20 0.49
HRH3 Q9Y5N1 3/20 0.48
MAPT P10636 1/20 0.45
HCN4 Q9Y3Q4 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
CYP3A4 P08684 1/20 0.45
ALOX15 P16050 1/20 0.45

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 SCHEMBL9740787 0.99 MEN1 (0.52) MEN1KMT2ADHCR7HRH3MAPT
SCHEMBL9740511 0.95 DHCR7 (0.51) MEN1KMT2ADHCR7HRH3MAPT
SCHEMBL9739687 0.91 HCN4 (0.45) MEN1KMT2ADHCR7HRH3MAPT
SCHEMBL9740561 0.91 CHRNB2 (0.49) MEN1KMT2AMAPTHCN4SIGMAR1
Hydrochloric Acid SCHEMBL9739300 0.91 CYP3A4 (0.46) MEN1KMT2AHRH3MAPTHCN4
SCHEMBL9739498 0.90 ABCB1 (0.51) MEN1KMT2AHRH3MAPTHCN4
Hydrochloric Acid SCHEMBL9739064 0.90 CHRNB2 (0.48) MEN1KMT2AMAPTHCN4CYP3A4
Hydrochloric Acid SCHEMBL9740435 0.90 CYP3A4 (0.47) MEN1KMT2AMAPTHCN4CYP3A4
Hydrochloric Acid SCHEMBL9739563 0.90 GAA (0.51) MEN1KMT2AHRH3MAPTHCN4
Cilobradine SCHEMBL1855245 0.89 HCN4 (0.57) MEN1KMT2ADHCR7MAPTHCN4

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
US-5175157-A Cardiovascular disorders BOEHRINGER INGELHEIM GMBH (DE) 1992-12-29 US disclosed
EP-0224794-B1 CYCLIC AMINE DERIVATIVES, MEDICINES CONTAINING THESE COMPOUNDS AND PROCESS FOR THEIR PREPARATION Dr. Karl Thomae GmbH (DE) 1990-09-12 EP disclosed
EP-0224794-A2 Cyclic amine derivatives, medicines containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1987-06-10 EP disclosed