SCHEMBL9017654

SCHEMBL9017654

N#Cc1ccc2c(c1)CCC(C[PH](c1ccccc1)(c1ccccc1)c1ccccc1)C2

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.40
DRD3 P35462 5/20 0.40
CYP19A1 P11511 2/20 0.40
PNMT P11086 6/20 0.39
MCHR1 Q99705 1/20 0.38
DGAT1 O75907 1/20 0.34
CYP11B2 P19099 1/20 0.34
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL7387150 0.76 CYP19A1 (0.47) DRD2DRD3CYP19A1PNMTMCHR1
SCHEMBL11211912 0.74 DRD2 (0.46) DRD2DRD3CYP19A1PNMTMCHR1
SCHEMBL11210812 0.71 CYP3A4 (0.51) DRD2DRD3CYP19A1PNMTMCHR1
SCHEMBL22070979 0.71 PNMT (0.45) DRD2DRD3CYP19A1PNMTMCHR1
SCHEMBL11215164 0.70 CYP3A4 (0.53) DRD2DRD3CYP19A1PNMTMCHR1
SCHEMBL1725458 0.69 DRD2 (0.50) DRD2DRD3PNMTHTR1DHTR1B
SCHEMBL2724775 0.68 OPRK1 (0.57) DRD2DRD3
SCHEMBL2722643 0.68 OPRK1 (0.57) DRD2DRD3
SCHEMBL14525540 0.68 DRD2 (0.49) DRD2DRD3PNMTCYP11B2
SCHEMBL11137820 0.67 MCHR1 (0.52) CYP19A1MCHR1DGAT1CYP11B2

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
US-5576343-A ANTICOAGULANTS; BLOOD-COAGULATION FACTOR X INHIBITORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1996-11-19 US disclosed