SCHEMBL13398809

SCHEMBL13398809

CC1C(C(=O)NCCN2CCN(c3cccc(Cl)c3F)CC2)C=C(c2ccccc2)N1C

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 11/20 0.47
HTR2A P28223 10/20 0.47
HTR2C P28335 10/20 0.47
SIGMAR1 Q99720 2/20 0.47
DRD4 P21917 2/20 0.44
SLC6A2 P23975 1/20 0.44
DRD3 P35462 2/20 0.44
DRD2 P14416 1/20 0.44

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
SCHEMBL13399558 0.95 SLC6A4 (0.51) SLC6A4HTR2AHTR2CSIGMAR1DRD4
SCHEMBL13398761 0.90 HTR2A (0.57) SLC6A4HTR2AHTR2CDRD3
SCHEMBL13398688 0.85 SLC6A4 (0.56) SLC6A4HTR2AHTR2CDRD4SLC6A2
SCHEMBL13398758 0.85 DRD3 (0.62) SLC6A4HTR2AHTR2CDRD4SLC6A2
SCHEMBL13399517 0.85 SLC6A4 (0.48) SLC6A4HTR2AHTR2CSIGMAR1DRD4
SCHEMBL13399049 0.85 HTR2A (0.45) SLC6A4HTR2AHTR2CSIGMAR1DRD4
SCHEMBL13399471 0.85 SLC6A4 (0.51) SLC6A4HTR2AHTR2CDRD4SLC6A2
SCHEMBL13398752 0.83 HTR2A (0.52) SLC6A4HTR2AHTR2CDRD4DRD3
SCHEMBL13399272 0.82 DRD2 (0.57) SLC6A4HTR2AHTR2CDRD4DRD3
SCHEMBL13398731 0.82 SLC6A4 (0.54) SLC6A4HTR2AHTR2CDRD4SLC6A2

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-2010038948-A2 ARYLPIPERAZINE-CONTAINING PYRROLE 3-CARBOXAMIDE DERIVATIVES FOR TREATING DEPRESSIVE DISORDERS GREEN CROSS CORPORATION (KR) 2010-04-08 WO disclosed