SCHEMBL8985604

SCHEMBL8985604

CCCN(CC1CC1)C(=O)c1cccc(OCc2ccc(Cl)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.57
MAOA P21397 2/20 0.57
NR4A2 P43354 1/20 0.55
F2 P00734 3/20 0.50
SMPD1 P17405 2/20 0.49
HPD P32754 1/20 0.47
MLYCD O95822 1/20 0.46
KDM2B Q8NHM5 1/20 0.44
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
RXRG P48443 1/20 0.44

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
SCHEMBL8985645 0.80 MAOB (0.58) MAOBMAOANR4A2SMPD1HPD
SCHEMBL5605085 0.74 MAOB (0.68) MAOBMAOANR4A2SMPD1HPD
SCHEMBL1436284 0.73 MAOB (1.00) MAOBMAOANR4A2SMPD1RXRA
SCHEMBL15389210 0.73 MLYCD (0.68) MLYCD
SCHEMBL27916079 0.72 NR4A2 (0.74) MAOBMAOANR4A2F2SMPD1
SCHEMBL7052037 0.72 NR4A2 (1.00) MAOBMAOANR4A2SMPD1HPD
SCHEMBL9272104 0.72 BCHE (0.60) MAOBMAOANR4A2HPD
SCHEMBL8985602 0.71 MEN1 (0.48) MAOBMAOANR4A2
Hydrochloric Acid SCHEMBL8985560 0.71 MEN1 (0.48) MAOBMAOANR4A2
SCHEMBL8985631 0.71 MAOB (0.58) MAOBMAOANR4A2

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-5550292-A ANXIOLYTIC AND ANTIDEPRESSANT AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-08-27 US disclosed
EP-0666840-A1 BENZYLAMINE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-08-16 EP disclosed
WO-1995006630-A1 BENZYLAMINE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-03-09 WO disclosed