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Sugi Predict / Compounds / SCHEMBL9035186

SCHEMBL9035186

SCHEMBL9035186

COc1c(N(OCc2ccccc2)C2(C3CCCCC3)CCCCC2)ccnc1C

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SLC6A5 Q9Y345 3/20 0.32
▸ FKBP1A P62942 2/20 0.32
▸ USP2 O75604 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ KCNA5 P22460 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
SCHEMBL9034632 0.82 OPRM1 (0.36) SLC6A5
SCHEMBL9034939 0.78 SLC6A5 (0.31) SLC6A5
SCHEMBL9033924 0.77 RORC (0.33) —
SCHEMBL9034028 0.76 USP2 (0.34) USP2HPGDHSD17B10
SCHEMBL9035748 0.74 C5AR1 (0.35) —
SCHEMBL9032962 0.72 USP2 (0.31) USP2HPGDHSD17B10
SCHEMBL8840422 0.71 OPRM1 (0.34) SLC6A5
SCHEMBL9035779 0.71 OPRM1 (0.34) SLC6A5
SCHEMBL9033878 0.70 KDM4E (0.34) KCNA5
SCHEMBL8840444 0.70 SLC6A5 (0.32) SLC6A5

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
EP-0719256-A1 SUBSTITUTED PYRIDINES, PROCESS FOR PRODUCING THEM AND THEIR USE AS PESTICIDES AND FUNGICIDES Hoechst Schering AgrEvo GmbH (DE) 1996-07-03 — — EP disclosed
WO-1995007891-A1 SUBSTITUTED PYRIDINES, PROCESS FOR PRODUCING THEM AND THEIR USE AS PESTICIDES AND FUNGICIDES HOECHST SCHERING AGREVO GMBH (DE) 1995-03-23 — — WO disclosed