SCHEMBL8679135

SCHEMBL8679135

CCCCc1c(F)c(N2CCC(N3C(=O)c4ccccc4C3=O)CC2)cc2c1C(C(=O)NCC(F)(F)F)c1cc(F)ccc1-2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 1/20 0.35
▸ TSHR P16473 2/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ KCNA5 P22460 1/20 0.32
▸ ASAH1 Q13510 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ ADRA1D P25100 2/20 0.31
▸ ADRA1A P35348 2/20 0.31
▸ ADRA1B P35368 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ PSEN1 P49768 1/20 0.31
▸ PSEN2 P49810 1/20 0.31
▸ APH1B Q8WW43 1/20 0.31
▸ NCSTN Q92542 1/20 0.31
▸ APH1A Q96BI3 1/20 0.31
▸ PSENEN Q9NZ42 1/20 0.31
▸ POLB P06746 1/20 0.31

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
SCHEMBL8666046 0.96 L3MBTL1 (0.34) L3MBTL1MAPK1LMNAHTTTSHR
SCHEMBL8504367 0.93 KCNA5 (0.32) L3MBTL1MAPK1LMNAHTTTSHR
SCHEMBL8479387 0.90 RORC (0.36) ALDH1A1
SCHEMBL8480060 0.85 CCR3 (0.40) KMT2APOLB
SCHEMBL8665214 0.82 MCHR1 (0.37) —
SCHEMBL8500944 0.81 MCHR1 (0.34) KMT2ACACNA1G
SCHEMBL8675068 0.77 L3MBTL1 (0.42) L3MBTL1LMNATSHRKMT2AKCNA5
SCHEMBL8485778 0.76 NPY1R (0.37) LMNAPSEN1PSEN2APH1BNCSTN
SCHEMBL8648478 0.75 CCNE1 (0.37) LMNAKMT2AALDH1A1ADRA1APOLB
SCHEMBL8593680 0.75 POLB (0.42) L3MBTL1LMNAKMT2AALDH1A1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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