SCHEMBL7861583

SCHEMBL7861583

CCCN(CCC)[C@@H]1Cc2ccc(CNS(=O)(=O)c3ccc(C#N)cc3)cc2C1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.54
DRD3 P35462 7/20 0.48
DRD2 P14416 5/20 0.46
LSS P48449 1/20 0.41
OPRK1 P41145 1/20 0.41
TBXA2R P21731 3/20 0.40
NAMPT P43490 1/20 0.40

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
SCHEMBL7408200 0.92 DRD3 (0.54) CYP19A1DRD3DRD2
SCHEMBL7408204 0.92 DRD3 (0.54) CYP19A1DRD3DRD2
SCHEMBL7862454 0.89 CYP19A1 (0.45) CYP19A1DRD3DRD2TBXA2RNAMPT
SCHEMBL7860194 0.89 CYP19A1 (0.48) CYP19A1DRD3DRD2LSS
SCHEMBL7854688 0.86 TBXA2R (0.54) CYP19A1DRD3DRD2TBXA2R
SCHEMBL7861294 0.86 DRD3 (0.60) DRD3DRD2TBXA2R
SCHEMBL7864498 0.86 DRD3 (0.51) DRD3DRD2TBXA2R
SCHEMBL7860206 0.84 CYP19A1 (0.54) CYP19A1DRD3DRD2TBXA2RNAMPT
SCHEMBL7860284 0.84 DRD3 (0.63) DRD3DRD2
SCHEMBL7861602 0.84 CYP19A1 (0.53) CYP19A1DRD3DRD2OPRK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0807101-B1 2-AMINOINDANS AS SELECTIVE DOPAMINE D3 LIGANDS UPJOHN CO (US) 2001-06-13 EP disclosed
US-5936000-A 2-aminoindans as selective dopamine D3 ligands PHARMACIA & UPJOHN COMPANY (US) 1999-08-10 US disclosed
WO-1996023760-A1 2-AMINOINDANS AS SELECTIVE DOPAMINE D3 LIGANDS PHARMACIA & UPJOHN COMPANY (US) 1996-08-08 WO disclosed