SCHEMBL9211577

SCHEMBL9211577

COc1cc2c(cc1OC)C(=O)N(CC1CCCN(CCc3cccc(C)c3)C1)C2

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
HRH3 Q9Y5N1 2/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
PARP1 P09874 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
ADRA1B P35368 1/20 0.41
ALDH1A1 P00352 1/20 0.40

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 SCHEMBL9214816 0.90 MEN1 (0.53) HRH3MEN1KMT2A
SCHEMBL9216056 0.90 BCHE (0.44) BCHEACHEMEN1KMT2ACHRNB2
SCHEMBL9213519 0.89 GAA (0.40) ACHEMEN1KMT2ACHRNB2CHRNB4
SCHEMBL9212603 0.86 GAA (0.50) HRH3MEN1KMT2A
Hydrochloric Acid SCHEMBL9214061 0.86 MEN1 (0.46) MEN1KMT2A
SCHEMBL9208573 0.86 MEN1 (0.48) ACHEHRH3MEN1KMT2ACHRNB2
SCHEMBL9215835 0.86 SIGMAR1 (0.46) MEN1KMT2A
Hydrochloric Acid SCHEMBL9207786 0.86 DHCR7 (0.43) MEN1KMT2AALDH1A1
SCHEMBL9208083 0.86 ABCB1 (0.44) MEN1KMT2ACHRNB2CHRNB4CHRNA3
SCHEMBL9212017 0.86 GAA (0.46) MEN1KMT2ACHRNB2CHRNB4CHRNA3

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