SCHEMBL8669577

SCHEMBL8669577

CCCCc1c(F)c(C(=O)OC(C)(C)C)c(N2CCCC2N)c2c1C(C(=O)NCC(F)(F)F)c1cc(F)ccc1-2

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NR3C2 P08235 1/20 0.31
▸ KCNA3 P22001 1/20 0.31
▸ KCNA5 P22460 1/20 0.31
▸ JAK2 O60674 1/20 0.30
▸ NTRK1 P04629 1/20 0.30

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
SCHEMBL8504391 0.96 NR3C2 (0.30) NR3C2
SCHEMBL8484144 0.93 KCNA3 (0.32) NR3C2KCNA3KCNA5
SCHEMBL8482325 0.86 NR3C2 (0.32) NR3C2KCNA3KCNA5
SCHEMBL8663542 0.77 POLB (0.34) —
SCHEMBL8665948 0.76 PGR (0.31) —
SCHEMBL8479120 0.75 POLB (0.34) —
SCHEMBL8486153 0.74 — —
SCHEMBL8479793 0.70 POLB (0.33) —
SCHEMBL8667893 0.69 POLB (0.32) —
SCHEMBL8666560 0.69 POLB (0.33) JAK2

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-5827875-A PYRROLIDINE DERIVATIVES; ANTIATHEROSCLEROSIS AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 1998-10-27 — — US disclosed
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