Sugi Predict

Sugi Predict / Compounds / SCHEMBL5338919

SCHEMBL5338919

SCHEMBL5338919

Cn1cc(OC(=O)Nc2ccccc2-c2ccc(F)cc2F)c(CF)n1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 16/20 0.51
▸ HSD17B10 Q99714 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ BRD4 O60885 1/20 0.36

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
SCHEMBL15732721 0.90 CHRM3 (0.48) CHRM3RAB9A
SCHEMBL4563806 0.87 CHRM3 (0.42) CHRM3
SCHEMBL4563782 0.85 CHRM3 (0.48) CHRM3
SCHEMBL3805880 0.84 CHRM3 (0.48) CHRM3HSD17B10RAB9A
SCHEMBL3043533 0.84 CHRM3 (0.48) CHRM3RAB9A
SCHEMBL5345290 0.84 CHRM3 (0.51) CHRM3
SCHEMBL4451528 0.84 CHRM3 (0.48) CHRM3HSD17B10RAB9A
SCHEMBL5142201 0.80 CHRM3 (0.50) CHRM3
SCHEMBL4683580 0.78 CHRM3 (0.49) CHRM3
SCHEMBL5093432 0.78 CHRM3 (0.53) CHRM3

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-1856055-A1 PYRAZOLE CARBOXYLIC ACID ANILIDES, METHOD FOR THE PRODUCTION THEREOF AND AGENTS CONTAINING THEM FOR CONTROLLING PATHOGENIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2007-11-21 — — EP claimed
WO-2006087343-A1 PYRAZOLE CARBOXYLIC ACID ANILIDES, METHOD FOR THE PRODUCTION THEREOF AND AGENTS CONTAINING THEM FOR CONTROLLING PATHOGENIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2006-08-24 — — WO claimed