SCHEMBL28782894

SCHEMBL28782894

C=CC(n1c(=O)n(C(C(=O)N2CCC(N3CCN(C)CC3)CC2)c2ccccc2)c2cc(Cl)ccc21)S(=O)(=O)c1ccc(C#N)cc1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 3/20 0.34
DRD2 P14416 3/20 0.34
F10 P00742 6/20 0.34
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
USP5 P45974 1/20 0.32
OGT O15294 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ACHE P22303 1/20 0.32
CHRM1 P11229 3/20 0.31
F11 P03951 1/20 0.31
CXCR3 P49682 1/20 0.31

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
SCHEMBL27776792 0.97 F10 (0.35) DRD1DRD2F10SLC1A3SLC1A2
SCHEMBL28944402 0.97 F10 (0.35) DRD1DRD2F10SLC1A3SLC1A2
SCHEMBL639968 0.87 USP5 (0.37) DRD1DRD2F10SLC1A3SLC1A2
SCHEMBL639744 0.84 F10 (0.37) DRD1DRD2F10USP5OGT
SCHEMBL641706 0.84 F10 (0.37) DRD1DRD2F10USP5OGT
SCHEMBL27756011 0.83 CYP3A4 (0.37) F10CHRM1
SCHEMBL642721 0.78 F10 (0.39) F10SLC1A3SLC1A2USP5OGT
SCHEMBL640662 0.76 ALDH1A1 (0.43) F10USP5KDM4EALDH1A1SMN1; SMN2
SCHEMBL639855 0.76 MGLL (0.35) F10KDM4EALDH1A1
SCHEMBL639633 0.76 HTR6 (0.36) DRD1DRD2F10KDM4EALDH1A1

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-101528712-B Substituted benzimidazolone derivatives, medicaments containing them and the use thereof ABBOTT GMBH & CO KG 2013-10-30 CN disclosed
CN-101528712-A Substituted benzimidazolone derivatives, medicaments containing them and the use thereof ABBOTT GMBH & CO KG (DE) 2009-09-09 CN disclosed