SCHEMBL8485778

SCHEMBL8485778

CCCCc1c(N2CCC(N3Cc4ccccc4C3=O)CC2)ccc2c1C(C(=O)NCC(F)(F)F)c1ccccc1-2

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPY1R P25929 1/20 0.37
▸ NPY5R Q15761 1/20 0.37
▸ AOC3 Q16853 1/20 0.36
▸ SCN1A P35498 10/20 0.36
▸ SCN5A Q14524 10/20 0.36
▸ SCN9A Q15858 10/20 0.36
▸ GAA P10253 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ MTR Q99707 1/20 0.35
▸ RORC P51449 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ PSEN1 P49768 1/20 0.33
▸ PSEN2 P49810 1/20 0.33
▸ APH1B Q8WW43 1/20 0.33
▸ NCSTN Q92542 1/20 0.33
▸ APH1A Q96BI3 1/20 0.33
▸ PSENEN Q9NZ42 1/20 0.33

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
SCHEMBL8664324 0.96 NPY1R (0.35) NPY1RNPY5RAOC3SCN1ASCN5A
SCHEMBL8487926 0.94 NPY1R (0.36) NPY1RNPY5RAOC3SCN1ASCN5A
SCHEMBL8479608 0.93 NPY1R (0.36) NPY1RNPY5RAOC3SCN1ASCN5A
SCHEMBL8502233 0.92 GAA (0.34) NPY1RNPY5RSCN1ASCN5ASCN9A
SCHEMBL8664248 0.90 PSEN1 (0.34) NPY1RNPY5RAOC3SCN1ASCN5A
SCHEMBL8666699 0.89 NPY1R (0.33) NPY1RNPY5RAOC3SCN1ASCN5A
SCHEMBL8479387 0.88 RORC (0.36) NPY1RNPY5RAOC3SCN1ASCN5A
SCHEMBL8503703 0.87 PSEN1 (0.36) SCN1ASCN5ASCN9AGAANPSR1
SCHEMBL8485593 0.86 NPY1R (0.40) NPY1RNPY5RAOC3SCN1ASCN5A
SCHEMBL8503792 0.85 POLB (0.33) GAANPSR1POLBRORCPSEN1

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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