SCHEMBL5790938

SCHEMBL5790938

CN1CCC(N)C1c1ccccc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
HTR2C P28335 4/20 0.43
RBP4 P02753 7/20 0.43
PNMT P11086 1/20 0.41
HTR2B P41595 2/20 0.40
DRD3 P35462 1/20 0.39
GRM2 Q14416 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
HTR2A P28223 1/20 0.36

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
SCHEMBL5968438 0.91 GAA (0.44) GAATDP1HTR2CRBP4PNMT
SCHEMBL16269184 0.77 HTR2C (0.41) GAATDP1HTR2CRBP4PNMT
SCHEMBL15670008 0.73 HTR2C (0.49) GAATDP1HTR2CRBP4PNMT
SCHEMBL17987098 0.72 CHRNB2 (0.53) GAATDP1HTR2CRBP4
SCHEMBL14945579 0.71 RBP4 (0.61) GAAHTR2CRBP4DRD3GRM2
SCHEMBL16964887 0.71 HTR2C (0.48) GAATDP1HTR2CRBP4PNMT
SCHEMBL16964888 0.71 HTR2C (0.48) GAATDP1HTR2CRBP4PNMT
SCHEMBL16109566 0.71 HTR2C (0.48) GAATDP1HTR2CRBP4PNMT
SCHEMBL29511855 0.71 HTR2C (0.48) GAATDP1HTR2CRBP4PNMT
SCHEMBL14908034 0.71 HTR2C (0.48) GAATDP1HTR2CRBP4PNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1638934-A1 3-AMINOPYRROLIDINES AS INHIBITORS OF MONOAMINE UPTAKE ELI LILLY AND COMPANY (US) 2006-03-29 EP disclosed
WO-2005000811-A1 3-AMINOPYRROLIDINES AS INHIBITORS OF MONOAMINE UPTAKE ELI LILLY AND COMPANY (US) 2005-01-06 WO disclosed