SCHEMBL6622170

SCHEMBL6622170

O=C(O)N1CCC2[C@@H](C1)c1cccc3c1N2CCN3

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 12/20 0.56
HTR2C P28335 6/20 0.56
DRD1 P21728 5/20 0.56
SLC6A4 P31645 4/20 0.56
OPRM1 P35372 11/20 0.42
DRD2 P14416 6/20 0.39

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
SCHEMBL5636917 1.00 HTR2A (0.56) HTR2AHTR2CDRD1SLC6A4OPRM1
SCHEMBL5513380 1.00 HTR2A (0.56) HTR2AHTR2CDRD1SLC6A4OPRM1
SCHEMBL6494486 0.85 HTR2A (0.43) HTR2AHTR2CDRD1SLC6A4OPRM1
SCHEMBL6494489 0.85 HTR2A (0.43) HTR2AHTR2CDRD1SLC6A4OPRM1
SCHEMBL5506007 0.83 OPRM1 (0.60) HTR2AHTR2CDRD1SLC6A4OPRM1
SCHEMBL30579711 0.83 OPRM1 (0.60) HTR2AHTR2CDRD1SLC6A4OPRM1
SCHEMBL22023339 0.83 OPRM1 (0.60) HTR2AHTR2CDRD1SLC6A4OPRM1
SCHEMBL5515239 0.82 OPRM1 (0.49) HTR2AHTR2CDRD1SLC6A4OPRM1
SCHEMBL5507296 0.81 HTR2C (0.39) HTR2AHTR2CDRD1SLC6A4DRD2
SCHEMBL5421686 0.79 CCR3 (0.54) HTR2AHTR2CSLC6A4

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-1189904-B1 SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-09-22 EP disclosed