SCHEMBL8586704

SCHEMBL8586704

C[C@@H](CCO)CCNC(=O)c1ccc2c(c1)CCC(CCN1CCC(c3ccccc3)CC1)C2=O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.44
DRD2 P14416 1/20 0.41
OPRM1 P35372 1/20 0.40
OPRK1 P41145 1/20 0.40
PRCP P42785 2/20 0.39
MCHR1 Q99705 1/20 0.38
DRD3 P35462 1/20 0.38
HTR7 P34969 1/20 0.38
SLC18A3 Q16572 1/20 0.38
USP5 P45974 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
PRMT5 O14744 1/20 0.38
CCR2 P41597 2/20 0.37

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
SCHEMBL8589689 1.00 HTR2C (0.44) HTR2CDRD2OPRM1OPRK1PRCP
SCHEMBL8200268 0.92 HTR2C (0.46) HTR2CDRD2OPRM1OPRK1PRCP
SCHEMBL8201705 0.89 HTR2C (0.46) HTR2CDRD2OPRM1OPRK1PRCP
SCHEMBL8588802 0.88 HTR2C (0.48) HTR2CDRD2OPRM1OPRK1MCHR1
SCHEMBL8202809 0.86 HTR2C (0.45) HTR2CDRD2OPRM1OPRK1PRCP
SCHEMBL8200547 0.85 HTR2C (0.48) HTR2CDRD2OPRM1OPRK1MCHR1
SCHEMBL8199972 0.85 HTR2C (0.46) HTR2CDRD2OPRM1OPRK1MCHR1
SCHEMBL8198570 0.85 HTR2C (0.47) HTR2CDRD2OPRM1OPRK1
SCHEMBL8202304 0.85 HTR2C (0.47) HTR2CDRD2PRCPMCHR1HTR7
SCHEMBL8203440 0.85 HTR2C (0.49) HTR2CDRD2PRCPMCHR1HTR7

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
WO-1998036749-A1 TETRALONE DERIVATIVES AS ANTIARRHYTHMIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-08-27 WO claimed