SCHEMBL2906510

SCHEMBL2906510

Cc1cc(C)nc(N(C2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)S(C)(=O)=O)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP3A4 P08684 2/20 0.38
CYP3A5 P20815 2/20 0.38
ALDH1A1 P00352 2/20 0.38
SLC6A9 P48067 3/20 0.37
HTT P42858 1/20 0.37
FPR2 P25090 3/20 0.33
PROKR1 Q8TCW9 3/20 0.33
CYP2D6 P10635 1/20 0.33
CYP19A1 P11511 1/20 0.33
CHRM2 P08172 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
BCL2 P10415 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
SCHEMBL2138189 0.78 CYP3A4 (0.39) LMNATSHRCYP3A4CYP3A5ALDH1A1
Drinabant SCHEMBL684143 0.78 CYP3A4 (0.36) TSHRCYP3A4CYP3A5ALDH1A1SLC6A9
SCHEMBL14012923 0.76 F2 (0.35) LMNAPOLBALOX15TSHRMAPK1
SCHEMBL2138820 0.76 CYP3A4 (0.55) TP53POLBCYP3A4CYP3A5ALDH1A1
SCHEMBL2134134 0.76 CYP3A4 (0.40) MAPTLMNATSHRCYP3A4CYP3A5
SCHEMBL2906643 0.75 CACNA2D1 (0.39) MAPTLMNAPOLBTSHRCYP3A4
SCHEMBL2906595 0.75 FFAR2 (0.42) LMNATSHRCYP3A4CYP3A5ALDH1A1
SCHEMBL2909847 0.75 CYP3A4 (0.36) TSHRCYP3A4CYP3A5ALDH1A1SLC6A9
SCHEMBL2906645 0.75 SLC6A9 (0.36) MAPTLMNAPOLBALOX15CYP3A4
SCHEMBL2914073 0.75 CYP3A4 (0.37) TSHRCYP3A4CYP3A5ALDH1A1SLC6A9

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-1263722-B1 PHARMACEUTICAL COMPOSITIONS CONTAINING AZETIDINE DERIVATIVES, NOVEL AZETIDINE DERIVATIVES AND PREPARATION THEREOF AVENTIS PHARMA SA (FR) 2010-08-25 EP disclosed
CN-1418192-A Pharmaceutical compositions containing azetidine derivatives novel azetidine derivatives and preparation thereof AVENTIS PHARMA SA (FR) 2003-05-14 CN disclosed
EP-1263722-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING AZETIDINE DERIVATIVES, NOVEL AZETIDINE DERIVATIVES AND PREPARATION THEREOF Aventis Pharma S.A. (FR) 2002-12-11 EP disclosed
US-6355631-B1 TREATMENT OF PSYCHOSIS AND SCHIZOPHRENIA AVENTIS PHARMA S.A. (FR) 2002-03-12 US disclosed
WO-2001064634-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING AZETIDINE DERIVATIVES, NOVEL AZETIDINE DERIVATIVES AND PREPARATION THEREOF AVENTIS PHARMA S.A. (FR) 2001-09-07 WO disclosed