SCHEMBL13399558

SCHEMBL13399558

CC1C(C(=O)NCCCN2CCN(c3cccc(Cl)c3F)CC2)C=C(c2ccccc2)N1C

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.51
SLC6A2 P23975 1/20 0.51
DRD3 P35462 10/20 0.50
DRD2 P14416 8/20 0.50
DRD4 P21917 7/20 0.50
FAAH O00519 2/20 0.49
HTR2A P28223 8/20 0.48
HTR2C P28335 8/20 0.48
SIGMAR1 Q99720 1/20 0.48
HTR7 P34969 3/20 0.47
KCNH2 Q12809 3/20 0.47
HTR1A P08908 2/20 0.47
HTR6 P50406 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP1A2 P05177 1/20 0.47

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
SCHEMBL13398809 0.95 SLC6A4 (0.47) SLC6A4SLC6A2DRD3DRD2DRD4
SCHEMBL13398688 0.91 SLC6A4 (0.56) SLC6A4SLC6A2DRD3DRD2DRD4
SCHEMBL13399517 0.90 SLC6A4 (0.48) SLC6A4SLC6A2DRD3DRD2DRD4
SCHEMBL13398758 0.89 DRD3 (0.62) SLC6A4SLC6A2DRD3DRD2DRD4
SCHEMBL13399321 0.85 SLC6A4 (0.57) SLC6A4SLC6A2DRD3DRD2DRD4
SCHEMBL13399292 0.85 DRD2 (0.49) SLC6A4SLC6A2DRD3DRD2DRD4
SCHEMBL13398761 0.85 HTR2A (0.57) SLC6A4DRD3HTR2AHTR2CKCNH2
SCHEMBL13398990 0.85 DRD3 (0.50) SLC6A4SLC6A2DRD3DRD2DRD4
SCHEMBL13399489 0.84 SLC6A4 (0.61) SLC6A4SLC6A2DRD3DRD2DRD4
SCHEMBL13399510 0.84 SLC6A4 (0.59) SLC6A4SLC6A2DRD3DRD2DRD4

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