SCHEMBL8587392

SCHEMBL8587392

NCC(Cc1ccc2ccccc2c1)NCc1ccc2ccccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC5R P33032 4/20 0.57
MC4R P32245 3/20 0.57
MC3R P41968 2/20 0.54
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
HTR2B P41595 1/20 0.51
SIGMAR1 Q99720 2/20 0.43
MC1R Q01726 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
MAPK1 P28482 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2A6 P11509 1/20 0.42
NR3C1 P04150 1/20 0.41
PGR P06401 1/20 0.41
NR3C2 P08235 1/20 0.41
IDO1 P14902 1/20 0.41
ROCK1 Q13464 1/20 0.40

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
SCHEMBL8586529 0.94 MC4R (0.50) MC5RMC4RMC3RHTR2AHTR2C
SCHEMBL8589693 0.90 MC5R (0.51) MC5RMC4RMC3RHTR2AHTR2C
SCHEMBL8589416 0.90 MC4R (0.48) MC5RMC4RMC3RHTR2AHTR2C
SCHEMBL8588360 0.90 MC4R (0.47) MC5RMC4RMC3RHTR2AHTR2C
SCHEMBL8589730 0.90 MC4R (0.47) MC5RMC4RMC3RHTR2AHTR2C
SCHEMBL8588789 0.90 MC5R (0.47) MC5RMC4RMC3RHTR2AHTR2C
SCHEMBL8586527 0.90 MC4R (0.47) MC5RMC4RMC3RHTR2AHTR2C
SCHEMBL8588350 0.90 MC5R (0.47) MC5RMC4RMC3RHTR2AHTR2C
SCHEMBL8588518 0.89 MC5R (0.46) MC5RMC4RMC3RHTR2AHTR2C
SCHEMBL8589092 0.89 MC5R (0.46) MC5RMC4RMC3RHTR2AHTR2C

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