SCHEMBL7846262

SCHEMBL7846262

COC(=O)c1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)n(C)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 7/20 0.47
CHRNB4 P30926 7/20 0.47
CHRNA3 P32297 7/20 0.47
CHRNA4 P43681 7/20 0.47
ASIC1 P78348 1/20 0.45
LMNA P02545 1/20 0.44
PTGS2 P35354 2/20 0.44
SIRT5 Q9NXA8 1/20 0.43
GRM5 P41594 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42

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
SCHEMBL2362545 0.82 CA12 (0.47) GRM5ADORA3
SCHEMBL14872141 0.79 LMNA (0.52) LMNAPTGS2SIRT5ADORA3
SCHEMBL2271347 0.78 LMNA (0.56) LMNA
SCHEMBL13063663 0.78 LMNA (0.56) LMNA
SCHEMBL385370 0.77 LMNA (0.60) LMNA
SCHEMBL13975284 0.76 TLR8 (0.50) LMNA
SCHEMBL17290366 0.76 ALDH1A1 (0.49) LMNA
SCHEMBL28103504 0.76 UBE2N (0.47) LMNAPTGS2SIRT5GRM5
SCHEMBL34469872 0.76 NOTUM (0.44) CHRNB2CHRNB4CHRNA3CHRNA4LMNA
SCHEMBL8167904 0.75 MAPT (0.51) LMNASIRT5ADORA3

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-1150958-A1 SUBSTITUTED PYRAZOLE CARBOXYLIC ACIDS USED TO COMBAT ANAEMIAS Bayer Aktiengesellschaft (DE) 2001-11-07 EP disclosed
WO-2000046208-A1 SUBSTITUTED PYRAZOLE CARBOXYLIC ACIDS USED TO COMBAT ANAEMIAS BAYER AKTIENGESELLSCHAFT (DE) 2000-08-10 WO disclosed