SCHEMBL8484379

SCHEMBL8484379

O=C(C1c2cc(F)ccc2-c2ccc(F)cc21)N(CC=CCN1CCC(N2Cc3ccccc3C2=O)CC1)CC(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SCN1A P35498 13/20 0.44
▸ SCN5A Q14524 13/20 0.44
▸ SCN9A Q15858 13/20 0.44
▸ MTR Q99707 1/20 0.40
▸ DPP4 P27487 1/20 0.38
▸ RORC P51449 1/20 0.37
▸ MCHR1 Q99705 1/20 0.36
▸ AOC3 Q16853 1/20 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
SCHEMBL8483204 0.80 MTR (0.45) SCN1ASCN5ASCN9AMTR
SCHEMBL8479385 0.78 DPP4 (0.38) SCN1ASCN5ASCN9ADPP4RORC
SCHEMBL8207052 0.74 SCN1A (0.43) SCN1ASCN5ASCN9AMTRRORC
SCHEMBL8207058 0.74 SCN1A (0.43) SCN1ASCN5ASCN9AMTRRORC
SCHEMBL8479389 0.73 DPP4 (0.38) SCN1ASCN5ASCN9AMTRDPP4
SCHEMBL8204787 0.73 MTR (0.54) SCN1ASCN5ASCN9AMTR
SCHEMBL8204791 0.73 MTR (0.54) SCN1ASCN5ASCN9AMTR
SCHEMBL8479245 0.70 SCN1A (0.39) SCN1ASCN5ASCN9AMTRAOC3
SCHEMBL8484683 0.68 SCN1A (0.40) SCN1ASCN5ASCN9AMTRAOC3
SCHEMBL8480404 0.68 SCN1A (0.39) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5883099-A TREATMENT OF ATHERSCLEROSIS, PANCREATITIS OBESITY OR HYPERGLYCEMIA BRISTOL-MYERS SQUIBB COMPANY (US) 1999-03-16 — — US disclosed
US-H1729-H Method for preparing compounds employing solid phase synthesis and novel linker-resin BRISTOL-MYERS SQUIBB COMPANY (US) 1998-05-05 — — US disclosed
US-5739135-A PREVENTING OR TREATING ATHEROSCLEROSIS, PANCREATITIS SECONDARY TO HYPERTRIGLYCERIDEMIA, HYPERGLYCEMIA, OBESITY BRISTOL-MYERS SQUIBB COMPANY (US) 1998-04-14 — — US disclosed
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