SCHEMBL2913362

SCHEMBL2913362

O=S1(=O)N=C(NC2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
POLB P06746 1/20 0.39
EPAS1 Q99814 3/20 0.39
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
CHRM2 P08172 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
BCL2 P10415 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD1 P21728 1/20 0.38
TBXA2R P21731 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
ADRA1A P35348 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
SCHEMBL22244808 0.72 CHRM2 (0.49) SMN1; SMN2MEN1KMT2AALDH1A1LMNA
SCHEMBL675058 0.69 CA9 (0.47) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL2914646 0.67 HTT (0.50) SMN1; SMN2ALDH1A1LMNACHRM2HTR1A
SCHEMBL2913321 0.65 PSEN1 (0.46) SMN1; SMN2ALDH1A1LMNACHRM2HTR1A
SCHEMBL2906638 0.64 CYP2D6 (0.46) SMN1; SMN2MEN1KMT2AALDH1A1LMNA
SCHEMBL2909234 0.64 SLC6A9 (0.42) CHRM2HTR1AADRA2ABCL2CHRM1
SCHEMBL2906964 0.64 BCHE (0.54) POLBSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL7654286 0.64 CYP2D6 (0.40) POLBMEN1KMT2ACHRM2HTR1A
SCHEMBL15869563 0.63 LMNA (0.63) NPC1RAB9APOLBEPAS1MAPT
SCHEMBL10503794 0.62 ALDH1A1 (0.57) NPC1RAB9APOLBEPAS1MAPT

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
EP-1263722-B1 PHARMACEUTICAL COMPOSITIONS CONTAINING AZETIDINE DERIVATIVES, NOVEL AZETIDINE DERIVATIVES AND PREPARATION THEREOF AVENTIS PHARMA SA (FR) 2010-08-25 EP 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