SCHEMBL6330694

SCHEMBL6330694

[c]1ccccc1CNc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
LTA4H P09960 1/20 0.40
HTT P42858 1/20 0.39
TAAR1 Q96RJ0 2/20 0.39
NISCH Q9Y2I1 1/20 0.38
FFAR1 O14842 1/20 0.38
PTPRF P10586 1/20 0.38
PTPN2 P17706 1/20 0.38
PTPN1 P18031 1/20 0.38
PTPN11 Q06124 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL8125173 0.76
SCHEMBL902817 0.76
SCHEMBL2650327 0.75 MEN1 (0.50) MAPTMAOAMEN1KMT2A
SCHEMBL5816984 0.75 MAPT (0.40) ALDH1A1MAPTMAOAMAOBMEN1
SCHEMBL11868729 0.72 KDM4E (0.31) MAPTCYP3A4
SCHEMBL2090459 0.72 GAA (0.34) HTT
SCHEMBL6566419 0.71 ADH1B (0.50) ALDH1A1MEN1KMT2ATAAR1
SCHEMBL5185913 0.71 HRH1 (0.39) ALDH1A1MEN1CYP1A2KMT2ALTA4H
SCHEMBL8119643 0.71 KDM4E (0.35) ALDH1A1MAPTMEN1KMT2ALTA4H
SCHEMBL15031 0.71 CALM1 (0.32)

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6951872-B2 Monocyclic or bicyclic carbocycles and heterocycles as factor Xa inhibitors BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-10-04 US disclosed
US-6710058-B2 USE AS ANTICOAGULANT AGENTS FOR THERAPY AND PROPHYLAXIS OFTHROMBOEMBOLIC DISORDERS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-03-23 US disclosed
EP-1337251-A1 MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Pharma Company (US) 2003-08-27 EP disclosed
WO-2002102380-A1 MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-12-27 WO disclosed
EP-0520377-B1 A process for the selective preparation of 4,4-methylene-bis-(N-phenylalkylcarbamate) LUCKY LTD (KR) 1998-02-25 EP disclosed
US-5384424-A Methylating N-phenylalkylcarbamate using acid catalyst LUCKY LIMITED (KR) 1995-01-24 US disclosed
EP-0520377-A2 A process for the selective preparation of 4,4-methylene-bis-(N-phenylalkylcarbamate) LUCKY LTD. (KR) 1992-12-30 EP disclosed