SCHEMBL9542839

SCHEMBL9542839

CC(C)(C)C(OC(N)=O)c1cccc(C2CCN(Cc3ccccc3)C2)c1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.47
CHRM4 P08173 4/20 0.43
SLC18A3 Q16572 1/20 0.43
OPRK1 P41145 1/20 0.41

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
SCHEMBL9488308 0.78 DRD2 (0.54) DRD2
SCHEMBL15773064 0.76 HTR2C (0.45) SLC18A3
SCHEMBL22634030 0.74 MGLL (0.48)
SCHEMBL9482766 0.73 DRD2 (0.54) DRD2CHRM4SLC18A3
SCHEMBL8844262 0.72 DRD2 (0.51) DRD2CHRM4
SCHEMBL9542849 0.72 ROCK2 (0.49) DRD2CHRM4
SCHEMBL4204422 0.71 DRD2 (0.60) DRD2SLC18A3
SCHEMBL4204428 0.71 DRD2 (0.60) DRD2SLC18A3
SCHEMBL8844218 0.71 DRD2 (0.60) DRD2SLC18A3
SCHEMBL22928142 0.70 DRD2 (0.62) DRD2CHRM4

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
WO-1993016077-A1 7-SUBSTITUTED QUINOLONES AND NAPHTHYRIDONES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1993-08-19 WO disclosed