SCHEMBL9215918

SCHEMBL9215918

COc1cc2c(cc1OC)CC(=O)N(CC1CCCN(Cc3ccc4ccccc4c3)C1)CC2

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HCRTR1 O43613 4/20 0.45
HCRTR2 O43614 4/20 0.45
POLB P06746 1/20 0.44
MCHR1 Q99705 2/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
LTA4H P09960 1/20 0.42
HTT P42858 1/20 0.42
MAPT P10636 1/20 0.42
HCN4 Q9Y3Q4 1/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL9207550 0.91 HCN4 (0.47) MEN1KMT2AHCRTR1HCRTR2MAPT
Hydrochloric Acid SCHEMBL9740428 0.91 CYP3A4 (0.47) MEN1KMT2AHCRTR1HCRTR2MAPT
Hydrochloric Acid SCHEMBL9740420 0.88 CYP3A4 (0.47) HCRTR1HCRTR2MAPTHCN4
Hydrochloric Acid SCHEMBL9742044 0.84 HTT (0.51) MEN1KMT2APOLBMAOAMAOB
Hydrochloric Acid SCHEMBL9740435 0.84 CYP3A4 (0.47) MEN1KMT2AHCRTR1HCRTR2MAPT
SCHEMBL9740561 0.83 CHRNB2 (0.49) MEN1KMT2ALTA4HMAPTHCN4
SCHEMBL9740052 0.83 MAOA (0.47) MEN1KMT2APOLBMCHR1MAOA
SCHEMBL9739498 0.82 ABCB1 (0.51) MEN1KMT2APOLBMAPTHCN4
Hydrochloric Acid SCHEMBL9739064 0.82 CHRNB2 (0.48) MEN1KMT2AMAPTHCN4
Hydrochloric Acid SCHEMBL9739977 0.82 MAOA (0.46) MEN1KMT2APOLBMCHR1MAOA

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