SCHEMBL8717828

SCHEMBL8717828

CCCCC1(C(=O)NCC(F)(F)F)C(N2CCC(N3Cc4ccccc4C3=O)CC2)=Cc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTTP P55157 5/20 0.41
SCN1A P35498 5/20 0.37
SCN5A Q14524 5/20 0.37
SCN9A Q15858 5/20 0.37
MTR Q99707 2/20 0.37
CHRM2 P08172 1/20 0.37
ADRA2A P08913 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
CHRM1 P11229 1/20 0.37
DRD1 P21728 1/20 0.37
TBXA2R P21731 1/20 0.37
PTGS1 P23219 1/20 0.37
SLC6A2 P23975 1/20 0.37
ADRA1A P35348 1/20 0.37
OPRM1 P35372 1/20 0.37
DRD3 P35462 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KCNH2 Q12809 1/20 0.37
AOC3 Q16853 1/20 0.35

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
SCHEMBL8666040 0.95 MTTP (0.40) MTTPSCN1ASCN5ASCN9AMTR
SCHEMBL8503020 0.92 MTTP (0.42) MTTPMTRCHRM2ADRA2AADORA3
SCHEMBL8484684 0.85 MTTP (0.43) MTTPSCN1ASCN5ASCN9AMTR
SCHEMBL8666053 0.83 MTTP (0.42) MTTPSCN1ASCN5ASCN9AMTR
SCHEMBL6187970 0.83 MTTP (0.47) MTTPSCN1ASCN5ASCN9AMTR
SCHEMBL8923897 0.80 MTTP (0.45) MTTPSCN1ASCN5ASCN9AMTR
SCHEMBL8503626 0.79 MTTP (0.44) MTTPMTRCHRM2ADRA2AADORA3
SCHEMBL6187526 0.79 MTTP (0.58) MTTPSCN1ASCN5ASCN9AMTR
SCHEMBL8900823 0.78 MTTP (0.43) MTTPMTRCHRM2ADRA2AADORA3
SCHEMBL8484688 0.77 SCN1A (0.36) SCN1ASCN5ASCN9AMTRAOC3

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-5739135-A PREVENTING OR TREATING ATHEROSCLEROSIS, PANCREATITIS SECONDARY TO HYPERTRIGLYCERIDEMIA, HYPERGLYCEMIA, OBESITY BRISTOL-MYERS SQUIBB COMPANY (US) 1998-04-14 US disclosed