SCHEMBL8901959

SCHEMBL8901959

COc1cc(OC)c(C(=O)N[C@H]2CCN(C3C4CCCC3CCC4)C2)cc1Cl

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 6/20 0.81
SIGMAR1 Q99720 2/20 0.57
HTR4 Q13639 2/20 0.51

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
SCHEMBL8901965 1.00 DRD4 (0.81) DRD4SIGMAR1HTR4
Hydrochloric Acid SCHEMBL8902290 0.90 DRD4 (0.73) DRD4SIGMAR1
Hydrochloric Acid SCHEMBL8902305 0.90 DRD4 (0.73) DRD4SIGMAR1
SCHEMBL8902631 0.88 DRD4 (0.70) DRD4SIGMAR1
SCHEMBL8902617 0.88 DRD4 (0.70) DRD4SIGMAR1
SCHEMBL8902240 0.87 DRD4 (0.69) DRD4SIGMAR1HTR4
SCHEMBL8902565 0.87 DRD4 (0.69) DRD4SIGMAR1
SCHEMBL8902225 0.87 DRD4 (0.69) DRD4SIGMAR1HTR4
SCHEMBL8901917 0.87 DRD4 (0.81) DRD4SIGMAR1
SCHEMBL8901921 0.87 DRD4 (0.81) DRD4SIGMAR1

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-0757985-A1 N-(3-PYRROLIDINYL)BENZAMIDE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1997-02-12 EP disclosed