SCHEMBL8589092

SCHEMBL8589092

NCC(Cc1ccc2ccccc2c1)NCc1cc(F)cc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC5R P33032 5/20 0.46
MC4R P32245 3/20 0.46
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
MC3R P41968 2/20 0.43
SIGMAR1 Q99720 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2A6 P11509 1/20 0.39
PIN1 Q13526 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KCNH2 Q12809 1/20 0.37
NR3C1 P04150 1/20 0.37
PGR P06401 1/20 0.37
NR3C2 P08235 1/20 0.37
MC1R Q01726 3/20 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
SCHEMBL8588360 0.90 MC4R (0.47) MC5RMC4RHTR2AHTR2CHTR2B
SCHEMBL8587392 0.89 MC5R (0.57) MC5RMC4RHTR2AHTR2CHTR2B
SCHEMBL8586529 0.86 MC4R (0.50) MC5RMC4RHTR2AHTR2CHTR2B
SCHEMBL8589693 0.85 MC5R (0.51) MC5RMC4RHTR2AHTR2CHTR2B
SCHEMBL8588518 0.84 MC5R (0.46) MC5RMC4RHTR2AHTR2CHTR2B
SCHEMBL8588135 0.83 CYP3A4 (0.51) MC5RMC4RHTR2AHTR2CHTR2B
SCHEMBL8586527 0.82 MC4R (0.47) MC5RMC4RHTR2AHTR2CHTR2B
SCHEMBL8588350 0.82 MC5R (0.47) MC5RMC4RHTR2AHTR2CHTR2B
SCHEMBL8589150 0.82 TAAR1 (0.40) SIGMAR1
SCHEMBL8587931 0.82 HTR2A (0.46) MC5RMC4RHTR2AHTR2CHTR2B

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-1998052890-A1 3-ARYLPROPYLAMINO NEUROPEPTIDE Y RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1998-11-26 WO disclosed