SCHEMBL27466971

SCHEMBL27466971

OC1CN(C(c2ccc(Cl)cc2)c2nccs2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.39
FFAR2 O15552 8/20 0.38
CTSA P10619 1/20 0.38
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
GPX4 P36969 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CNR1 P21554 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP19A1 P11511 1/20 0.35
CHRM2 P08172 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA2A P08913 1/20 0.35
BCL2 P10415 1/20 0.35
CHRM1 P11229 1/20 0.35
DRD1 P21728 1/20 0.35
TBXA2R P21731 1/20 0.35
SLC6A2 P23975 1/20 0.35

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
SCHEMBL27450674 0.83 SLC6A3 (0.40) SLC6A3FFAR2CTSAMEN1LMNA
SCHEMBL1500596 0.79 CYP2D6 (0.52) SLC6A3GPX4CYP2D6CYP19A1CHRM2
Bromide SCHEMBL1782497 0.77 CYP2D6 (0.50) SLC6A3GPX4CYP2D6CYP19A1CHRM2
Hydrochloric Acid SCHEMBL1782142 0.77 CYP2D6 (0.50) SLC6A3MEN1LMNAKMT2AGPX4
SCHEMBL3298937 0.75 OPRM1 (0.44) SLC6A3MEN1LMNAKMT2AKDM4E
SCHEMBL1779185 0.73 CYP2D6 (0.46) SLC6A3GPX4CYP2D6CYP19A1CHRM2
SCHEMBL6011470 0.71 FFAR2 (0.46) SLC6A3FFAR2CTSAMEN1LMNA
SCHEMBL5078319 0.70 CTSA (0.39) SLC6A3FFAR2CTSAMEN1LMNA
SCHEMBL5078943 0.70 CTSA (0.39) SLC6A3FFAR2CTSAMEN1LMNA
SCHEMBL5075741 0.70 CTSA (0.39) SLC6A3FFAR2CTSAMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1149191-C Azetidine derivatives, Preparation and medicines containing them ���ĵ�˹ҩ��ɷ����޹�˾ 2004-05-12 CN disclosed
CN-1316991-A Azetidine derivatives, preparation and medicines containing them AVENTIS PHARMA SA (FR) 2001-10-10 CN disclosed