SCHEMBL1744322

SCHEMBL1744322

CC1CC1(F)F.O=C(O)Cl

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.35
CHRNB2 P17787 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
CHRNB3 Q05901 1/20 0.33
CHRNA6 Q15825 1/20 0.33
GRM2 Q14416 1/20 0.32
GRM3 Q14832 1/20 0.32
CYP2C19 P33261 1/20 0.32
PIK3CD O00329 1/20 0.32

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
Bicarbonate SCHEMBL9660887 0.88 APLNR (0.38) APLNRCHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL9485514 0.86 APLNR (0.33) APLNRGRM2GRM3CYP2C19
Carbamic Acid SCHEMBL9658814 0.83 ACHE (0.39) APLNRGRM2GRM3CYP2C19
SCHEMBL9507172 0.80 APLNR (0.36) APLNRGRM2GRM3CYP2C19
SCHEMBL9652210 0.79
SCHEMBL16086835 0.78
SCHEMBL27735 0.78
SCHEMBL16086988 0.78
Bicarbonate SCHEMBL9484911 0.78 APLNR (0.35) APLNRCYP2C19
Ammonia Solution, Strong SCHEMBL8355302 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2385945-B1 TRIAZOLO AND TETRAZOLO PYRIMIDINE DERIVATIVES AS HNE INHIBITORS FOR TREATING COPD BAYER IP GMBH (DE) 2013-01-23 EP disclosed
EP-2385945-A1 TRIAZOLO AND TETRAZOLO PYRIMIDINE DERIVATIVES AS HNE INHIBITORS FOR TREATING COPD Bayer Pharma Aktiengesellschaft (DE) 2011-11-16 EP disclosed
US-8041896-B2 Virtualization platform with dedicated cache access HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2011-10-18 US disclosed
WO-2010078953-A1 TRIAZOLO AND TETRAZOLO PYRIMIDINE DERIVATIVES AS HNE INHIBITORS FOR TREATING COPD BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-07-15 WO disclosed
EP-0461502-B1 Azolyl propanol derivatives BAYER AG (DE) 1996-08-28 EP disclosed
EP-0461483-B1 Method for the production of benzyl ketones BAYER AG (DE) 1995-11-02 EP disclosed
EP-0351647-B1 2,2-DIFLUOROCYCLOPROPYL DERIVATES BAYER AG (DE) 1992-12-30 EP disclosed
EP-0461483-A2 Method for the production of benzyl ketones BAYER AG (DE) 1991-12-18 EP disclosed
EP-0461502-A2 Azolyl propanol derivatives BAYER AG (DE) 1991-12-18 EP disclosed
EP-0351647-A2 2,2-Difluorocyclopropyl derivates BAYER AG (DE) 1990-01-24 EP disclosed
EP-0351646-A2 Hydroxyalkinyl-azolyl derivatives BAYER AG (DE) 1990-01-24 EP disclosed