SCHEMBL4064935

SCHEMBL4064935

CN1CCN(C(=O)C(=O)c2c[nH]c3c(-c4ccco4)nccc23)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.46
HPGD P15428 1/20 0.43
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 2/20 0.38
CYP2C9 P11712 2/20 0.37
MCL1 Q07820 2/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
APEX1 P27695 1/20 0.37
CYP2C19 P33261 1/20 0.37
BLM P54132 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
GAA P10253 1/20 0.36
KLK7 P49862 1/20 0.36
GABRA1 P14867 2/20 0.36

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
SCHEMBL1763301 0.87 RAB9A (0.51) RAB9AHPGDKDM4EALDH1A1LMNA
SCHEMBL17077199 0.81 CYP2C19 (0.55) RAB9ACYP2C9CYP3A4CYP2C19
SCHEMBL2510356 0.79 CYP2C19 (0.64) RAB9AKDM4EALDH1A1LMNACYP2C9
SCHEMBL2629017 0.79 CYP2C19 (0.64) RAB9AKDM4EALDH1A1LMNACYP2C9
SCHEMBL1558144 0.72 POLB (0.48) RAB9AKDM4EALDH1A1LMNAPOLB
SCHEMBL1763115 0.72 ALDH1A1 (0.47) RAB9AALDH1A1CYP2C9CYP1A2CYP3A4
SCHEMBL1763504 0.71 CYP2C9 (0.52) RAB9APOLBCYP2C9CYP1A2CYP3A4
SCHEMBL1763406 0.71 CYP2C9 (0.49) RAB9AKDM4EALDH1A1LMNAPOLB
SCHEMBL1763089 0.71 CYP2C9 (0.52) RAB9AKDM4EALDH1A1LMNAPOLB
SCHEMBL1763615 0.71 CYP2C9 (0.51) RAB9AALDH1A1LMNAPOLBCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363705-A4 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2009-08-12 EP disclosed
EP-1549313-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES Bristol-Myers Squibb Company (US) 2005-07-06 EP disclosed
WO-2004014380-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2004-02-19 WO disclosed
EP-1363705-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2003-11-26 EP disclosed
WO-2002062423-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-08-15 WO disclosed