SCHEMBL5207428

SCHEMBL5207428

[O-][S+](NCC1CCC(c2nc(-c3cccc(Cl)c3)c[nH]2)CC1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
VCP P55072 4/20 0.43
STK4 Q13043 1/20 0.39
STK3 Q13188 1/20 0.39
ACP1 P24666 2/20 0.38
CHRM1 P11229 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM3 P20309 1/20 0.36
MDM2 Q00987 1/20 0.34
IDO1 P14902 1/20 0.34
PFKFB3 Q16875 1/20 0.34
KIT P10721 1/20 0.33
CXCR2 P25025 1/20 0.33
CNR2 P34972 1/20 0.33
DPP4 P27487 1/20 0.32
KDM1A O60341 1/20 0.32
MAOB P27338 1/20 0.32
IGF1R P08069 1/20 0.32

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
SCHEMBL5202652 0.78 GBA1 (0.51) VCPSTK4STK3
SCHEMBL5207254 0.78 STK4 (0.42) VCPSTK4STK3ACP1IDO1
SCHEMBL5204673 0.73 VCP (0.46) VCPCHRM1CHRM2CHRM4CHRM3
SCHEMBL27776222 0.72 GABRA1 (0.46) ACP1CHRM1CHRM2CHRM4CHRM3
Hydrochloric Acid SCHEMBL311446 0.71 GABRA1 (0.45) ACP1CHRM1CHRM2CHRM4CHRM3
SCHEMBL5207246 0.69 RAB9A (0.53) VCPKITCNR2KDM1AMAOB
SCHEMBL90906 0.67 HSD11B1 (0.39) STK4STK3CHRM1CHRM3PFKFB3
SCHEMBL5205206 0.66 CKS1B (0.49) VCP
SCHEMBL5206599 0.65 GBA1 (0.48) VCPCNR2
SCHEMBL5207569 0.65 KMT2A (0.41) VCPIDO1CNR2IGF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1306085-B1 2-Cyclohexyl-4-phenyl-1H-imidazole derivatives as ligands for the neuropeptide Y5 receptor NEUROGEN CORP (US) 2007-02-14 EP claimed