SCHEMBL7419780

SCHEMBL7419780

CC(C)(N)CNC(=O)c1cccc(C(=C2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)S(C)(=O)=O)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
RAB9A P51151 1/20 0.35
CACNA1G O43497 5/20 0.35
TP53 P04637 1/20 0.35
THRB P10828 1/20 0.35
DPP8 Q6V1X1 2/20 0.34
DDR1 Q08345 1/20 0.34
GPX4 P36969 1/20 0.34
OPRD1 P41143 1/20 0.34
CACNA2D1 P54289 1/20 0.33
CACNA1B Q00975 1/20 0.33
CACNB1 Q02641 1/20 0.33
CACNA1C Q13936 1/20 0.33
CCKAR P32238 1/20 0.33
CCKBR P32239 1/20 0.33
CYP24A1 Q07973 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
SCHEMBL5078340 0.93 CNR2 (0.38) DRD2DRD3KMT2AMEN1RAB9A
SCHEMBL5077622 0.86 KMT2A (0.50) DRD2DRD3KMT2AMEN1RAB9A
SCHEMBL6011590 0.85 DRD2 (0.36) DRD2DRD3RAB9ACACNA1GTHRB
SCHEMBL5081549 0.84 P2RX7 (0.44) DRD2DRD3KMT2AMEN1CACNA1G
SCHEMBL5078966 0.84 CACNA1G (0.42) DRD2DRD3KMT2ACACNA1GTP53
SCHEMBL5078910 0.84 F10 (0.45) KMT2AMEN1
SCHEMBL5078299 0.84 AKR1C3 (0.44) DRD2DRD3KMT2ACACNA1G
SCHEMBL5075698 0.84 NAMPT (0.40) DRD2DRD3KMT2ACACNA1GTP53
SCHEMBL5078283 0.83 DRD2 (0.42) DRD2DRD3KMT2AMEN1RAB9A
SCHEMBL5075654 0.82 CHEK2 (0.41) DRD3GPX4OPRD1

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
EP-1112251-A1 AZETIDINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM Aventis Pharma S.A. (FR) 2001-07-04 EP disclosed
WO-2000015609-A1 AZETIDINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM AVENTIS PHARMA S.A. (FR) 2000-03-23 WO disclosed