SCHEMBL8207058

SCHEMBL8207058

O=C1c2ccccc2CN1C1CCN(CC=CCC2(C(=O)NCC(F)(F)F)c3cc(F)ccc3-c3ccc(F)cc32)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 13/20 0.43
SCN5A Q14524 13/20 0.43
SCN9A Q15858 13/20 0.43
MTR Q99707 2/20 0.39
RORC P51449 1/20 0.38
HTR1A P08908 1/20 0.36
HTR2A P28223 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
CHRM2 P08172 1/20 0.35
ADRA2A P08913 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
CHRM1 P11229 1/20 0.35
DRD1 P21728 1/20 0.35
TBXA2R P21731 1/20 0.35
PTGS1 P23219 1/20 0.35
SLC6A2 P23975 1/20 0.35
ADRA1A P35348 1/20 0.35
OPRM1 P35372 1/20 0.35
DRD3 P35462 1/20 0.35
MTTP P55157 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
SCHEMBL8207052 1.00 SCN1A (0.43) SCN1ASCN5ASCN9AMTRRORC
SCHEMBL6187393 0.85 MTTP (0.50) SCN1ASCN5ASCN9AMTRRORC
SCHEMBL6186350 0.80 MTR (0.43) SCN1ASCN5ASCN9AMTR
SCHEMBL6190749 0.80 MTR (0.43) SCN1ASCN5ASCN9AMTR
SCHEMBL6186340 0.80 MTR (0.43) SCN1ASCN5ASCN9AMTR
SCHEMBL6187526 0.77 MTTP (0.58) SCN1ASCN5ASCN9AMTRCHRM2
SCHEMBL8903324 0.74 MTTP (0.54) MTRCHRM2ADRA2AADORA3CHRM1
SCHEMBL8484379 0.74 SCN1A (0.44) SCN1ASCN5ASCN9AMTRRORC
SCHEMBL8203821 0.73 MTTP (0.53) MTRCHRM2ADRA2AADORA3CHRM1
SCHEMBL6601007 0.72 MTTP (0.51) SCN1ASCN5ASCN9AMTRCHRM2

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-6034098-A ATHEROSCLEROSIS BRISTOL-MYERS SQUIBB COMPANY (US) 2000-03-07 US claimed