SCHEMBL6329433

SCHEMBL6329433

[c]1cccc(C2CCNCC2)c1CNCC1CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
HTR2C P28335 8/20 0.39
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC6A2 P23975 4/20 0.35
SLC6A4 P31645 4/20 0.35
SLC6A3 Q01959 4/20 0.35
HTR1A P08908 3/20 0.35
KDM1A O60341 2/20 0.34
KDM1B Q8NB78 1/20 0.34
CXCR4 P61073 1/20 0.33
EP300 Q09472 1/20 0.33

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
SCHEMBL6325639 0.78 HTR2C (0.39) HTR2CKMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL6324444 0.78 HTR2C (0.39) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL6987204 0.74 HTR2C (0.40) HTR2CMEN1KMT2ASLC6A2SLC6A4
SCHEMBL4830013 0.73 SLC6A2 (0.50) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL6640607 0.70 MEN1 (0.42) MEN1TP53CYP3A4CYP2D6CYP2C9
SCHEMBL6322319 0.69 MEN1 (0.37) MEN1TP53CYP3A4CYP2D6CYP2C9
SCHEMBL6946412 0.68 PRMT5 (0.60) PRMT5WDR77HTR2CMEN1TP53
SCHEMBL6320544 0.67 CYP2D6 (0.35) MEN1TP53CYP3A4CYP2D6CYP2C9
SCHEMBL6325686 0.66 PIM1 (0.41) CYP2D6CYP2C9CYP2C19KDM1ACXCR4
SCHEMBL6321221 0.66 GPR39 (0.42) MEN1TP53CYP3A4CYP2D6CYP2C9

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 4 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