SCHEMBL4608059

SCHEMBL4608059

CNCc1ccc(C(=O)N2CC3CCC(C)(C2)C3(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.36
DRD4 P21917 1/20 0.35
TPSAB1 Q15661 1/20 0.35
TPSD1 Q9BZJ3 1/20 0.35
TPSG1 Q9NRR2 1/20 0.35
ALDH1A1 P00352 4/20 0.35
HPGD P15428 3/20 0.35
HSD11B1 P28845 1/20 0.35
GAA P10253 1/20 0.35
CA2 P00918 2/20 0.35
SIGMAR1 Q99720 5/20 0.34
GLA P06280 1/20 0.34
MAPT P10636 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34
SMYD3 Q9H7B4 1/20 0.34
HTR1A P08908 1/20 0.34
HTR1B P28222 1/20 0.34
HTR2A P28223 1/20 0.34

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
SCHEMBL3813465 0.85 HDAC1 (0.46) ALDH1A1HTR1AHTR1BHTR2AHTR2C
SCHEMBL4608058 0.84 HDAC2 (0.36) ALDH1A1HPGDSIGMAR1
SCHEMBL3811254 0.79 ALDH1A1 (0.36) ALDH1A1HPGDGAACA2
SCHEMBL3812022 0.78 HDAC1 (0.46) ALDH1A1HPGDGAA
SCHEMBL12576932 0.78 HRH3 (0.37) ALDH1A1HPGDGAACA2
SCHEMBL3814369 0.77 HRH3 (0.39) ALDH1A1HPGDGAASIGMAR1GLA
SCHEMBL3811439 0.75 LMNA (0.37) ALDH1A1HPGD
SCHEMBL3811818 0.75 AOC3 (0.40) ALDH1A1HPGDMAPT
SCHEMBL3811384 0.75 CCR5 (0.40) ALDH1A1
SCHEMBL12640409 0.75 CA2 (0.38) ALDH1A1HPGDHSD11B1CA2SIGMAR1

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
CN-101351209-A Pharmaceutical use of substituted amides TRANSTECH PHARMA INC (US) 2009-01-21 CN claimed
CN-101351209-A Pharmaceutical use of substituted amides TRANSTECH PHARMA INC (US) 2009-01-21 CN disclosed
EP-1948190-A2 PHARMACEUTICAL USE OF SUBSTITUTED AMIDES TRANSTECH PHARMA (US) 2008-07-30 EP disclosed
WO-2007051810-A2 PHARMACEUTICAL USE OF SUBSTITUTED AMIDES TRANSTECH PHARMA (US) 2007-05-10 WO disclosed