SCHEMBL9431997

SCHEMBL9431997

COC(=O)C1CCOc2ccc(F)cc21

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.41
PTGDR2 Q9Y5Y4 4/20 0.40
GRM7 Q14831 1/20 0.40
SLC6A3 Q01959 2/20 0.39
SLC6A4 P31645 1/20 0.39
HCRTR2 O43614 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAOB P27338 1/20 0.37

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
SCHEMBL1569667 0.89 KDM4C (0.43) TRPV1PTGDR2KDM4C
SCHEMBL6994371 0.86 GRM7 (0.46) GRM7SLC6A3SLC6A4HCRTR2KDM4E
SCHEMBL26488602 0.83 MAP3K14 (0.46) PTGDR2HCRTR2NPC1
SCHEMBL5846862 0.83 SLC6A4 (0.39) SLC6A3SLC6A4
SCHEMBL5846869 0.83 SLC6A4 (0.39) SLC6A3SLC6A4
SCHEMBL23705293 0.83 ADRA2A (0.42) PTGDR2SLC6A3SLC6A4HCRTR2NPC1
SCHEMBL5846860 0.83 SLC6A4 (0.39) SLC6A3SLC6A4
SCHEMBL1846438 0.82 PTGDR2 (0.45) TRPV1PTGDR2GRM7
SCHEMBL915090 0.81 MAOB (0.38) TRPV1PTGDR2KDM4CKDM4EALDH1A1
SCHEMBL6527466 0.80 PTGDR2 (0.38) PTGDR2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5294635-A Heterocyclic compounds as aldose reductase inhibitors PFIZER, INC. (US) 1994-03-15 US disclosed
EP-0530198-A1 HETEROCYCLIC COMPOUNDS AS ALDOSE REDUCTASE INHIBITORS PFIZER INC. (US) 1993-03-10 EP disclosed
WO-1991015491-A1 HETEROCYCLIC COMPOUNDS AS ALDOSE REDUCTASE INHIBITORS PFIZER INC. (US) 1991-10-17 WO disclosed
US-5039672-A Administering enzyme inhibitors to control diabetes PFIZER INC. (US) 1991-08-13 US disclosed