SCHEMBL8479389

SCHEMBL8479389

CCCCc1c(F)ccc2c1C(C(=O)N(CC(F)(F)F)N1CCC(N3Cc4ccccc4C3=O)CC1)c1cc(F)ccc1-2

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ SCN1A P35498 9/20 0.35
▸ SCN5A Q14524 9/20 0.35
▸ SCN9A Q15858 9/20 0.35
▸ RORC P51449 1/20 0.34
▸ MCHR1 Q99705 1/20 0.33
▸ F10 P00742 1/20 0.33
▸ AOC3 Q16853 1/20 0.33
▸ MTR Q99707 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.32
▸ NPY1R P25929 1/20 0.32
▸ NPY5R Q15761 1/20 0.32

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
SCHEMBL8484436 0.89 L3MBTL1 (0.37) ALDH1A1
SCHEMBL8666049 0.87 L3MBTL1 (0.34) —
SCHEMBL8504369 0.84 HTT (0.31) —
SCHEMBL8479247 0.84 SCN1A (0.37) SCN1ASCN5ASCN9AF10AOC3
SCHEMBL8479385 0.81 DPP4 (0.38) DPP4ALDH1A1MAPTSCN1ASCN5A
SCHEMBL8664326 0.80 MTR (0.35) SCN1ASCN5ASCN9AMCHR1AOC3
SCHEMBL8665216 0.79 CCR3 (0.39) MCHR1NPSR1
SCHEMBL8487928 0.78 SCN1A (0.36) SCN1ASCN5ASCN9AF10AOC3
SCHEMBL8479611 0.77 SCN1A (0.35) SCN1ASCN5ASCN9AF10AOC3
SCHEMBL8500946 0.77 CCR3 (0.36) MCHR1NPSR1

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
Send feedback