SCHEMBL6563780

SCHEMBL6563780

Cc1cc(N(C(=O)C(CC(=O)O)NC(=O)C(F)(F)F)C(C)C)ccc1C#CCNc1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.32
NR1H2 P55055 1/20 0.30
CTSA P10619 1/20 0.30
MLYCD O95822 1/20 0.30

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
SCHEMBL6565387 0.90 ITGB3 (0.35)
SCHEMBL6565226 0.82 ITGB3 (0.34)
SCHEMBL6565317 0.75 ITGB3 (0.33)
SCHEMBL6565989 0.67 ITGB3 (0.36) EGLN1
SCHEMBL6563661 0.67 F2 (0.37)
SCHEMBL7677060 0.66 ITGB3 (0.32)
SCHEMBL6563063 0.63 ITGB3 (0.34)
SCHEMBL9723348 0.63 CASP3 (0.46)
SCHEMBL9183164 0.63 ESR1 (0.47)
SCHEMBL9183156 0.63 ESR1 (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140802-B1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM PHARMA (DE) 2004-03-17 EP disclosed
EP-1140802-A1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM KG (DE) 2001-10-10 EP disclosed
WO-2000035859-A1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES, THEIR PRODUCTION AND THEIR USE AS MEDICINES BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-06-22 WO disclosed