SCHEMBL7387150

SCHEMBL7387150

N#Cc1ccc2c(c1)CCC(CO)C2

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.47
DRD2 P14416 3/20 0.45
DRD3 P35462 3/20 0.45
MCHR1 Q99705 1/20 0.45
PNMT P11086 6/20 0.44
CYP11B2 P19099 1/20 0.38
KDM1A O60341 2/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38

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
SCHEMBL22070979 0.94 PNMT (0.45) CYP19A1DRD2DRD3MCHR1PNMT
SCHEMBL3101907 0.87 PNMT (0.49) CYP19A1DRD2DRD3MCHR1PNMT
SCHEMBL3101900 0.87 PNMT (0.49) CYP19A1DRD2DRD3MCHR1PNMT
SCHEMBL11211912 0.82 DRD2 (0.46) CYP19A1DRD2DRD3MCHR1PNMT
SCHEMBL11210812 0.79 CYP3A4 (0.51) CYP19A1DRD2DRD3MCHR1PNMT
SCHEMBL11215164 0.77 CYP3A4 (0.53) CYP19A1DRD2DRD3MCHR1PNMT
SCHEMBL5661590 0.77 CYP19A1 (0.61) CYP19A1DRD2DRD3CYP11B2
SCHEMBL9017654 0.76 DRD2 (0.40) CYP19A1DRD2DRD3MCHR1PNMT
SCHEMBL24214584 0.76 HTR2A (0.46) CYP19A1DRD2DRD3MCHR1PNMT
SCHEMBL10531254 0.76 PNMT (0.51) CYP19A1PNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5962695-A ANTICOAGULANT DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1999-10-05 US disclosed
US-5866577-A AN ANTICOAGULANT AGENT DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1999-02-02 US disclosed
US-5620991-A ANTICOAGULANTS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-04-15 US disclosed
US-5576343-A ANTICOAGULANTS; BLOOD-COAGULATION FACTOR X INHIBITORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1996-11-19 US disclosed
EP-0540051-B1 Aromatic amidine derivatives and salts thereof DAIICHI SEIYAKU CO (JP) 1996-04-03 EP disclosed
EP-0540051-A1 Aromatic amidine derivatives and salts thereof DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1993-05-05 EP disclosed