SCHEMBL8783548

SCHEMBL8783548

NC1C=CCC2CN(c3cc(F)c4c(=O)c(OC(=O)O)cn(C5CC5)c4c3C(F)(F)F)CC12

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ CHRM2 P08172 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ OPRM1 P35372 1/20 0.32
▸ OPRD1 P41143 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ KCNH2 Q12809 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
SCHEMBL9416442 0.90 POLB (0.34) ALDH1A1POLBCHRM2CHRM1OPRM1
SCHEMBL8783542 0.88 ALDH1A1 (0.40) ALDH1A1POLBCHRM2CHRM1OPRM1
SCHEMBL8783434 0.87 POLB (0.33) ALDH1A1POLBCHRM2CHRM1OPRM1
SCHEMBL8783496 0.86 POLB (0.31) ALDH1A1POLBCHRM2CHRM1OPRM1
SCHEMBL9694523 0.80 KDM4E (0.46) ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9694106 0.79 ALDH1A1 (0.42) ALDH1A1POLBCHRM2CHRM1OPRM1
SCHEMBL9416448 0.79 MEN1 (0.35) ALDH1A1POLBOPRM1KDM4EMEN1
SCHEMBL9145961 0.78 MEN1 (0.46) ALDH1A1POLBCHRM2CHRM1OPRM1
SCHEMBL9694537 0.78 ALDH1A1 (0.53) ALDH1A1POLBCHRM2CHRM1OPRM1
SCHEMBL8784506 0.77 TOP2A (0.37) ALDH1A1POLBCHRM2CHRM1OPRM1

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
EP-0607826-B1 Fluoro-trifluoromethylbenzoic acid derivatives BAYER AG (DE) 1997-05-07 — — EP disclosed
EP-0607826-A1 Fluoro-Trifluoromethylbenzoic acid derivatives BAYER AG (DE) 1994-07-27 — — EP disclosed
EP-0607825-A1 6-H-4-OXO-3-quinoline-carboxylic acids and their analogues as antibacterial agents BAYER AG (DE) 1994-07-27 — — EP disclosed
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