SCHEMBL6598706

SCHEMBL6598706

C[C@@H](CC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CALCRL Q16602 20/20 0.55

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
SCHEMBL4152267 0.90 CALCRL (0.55) CALCRL
SCHEMBL4152273 0.90 CALCRL (0.55) CALCRL
SCHEMBL3962039 0.86 CALCRL (0.58) CALCRL
SCHEMBL3962041 0.86 CALCRL (0.58) CALCRL
SCHEMBL3960713 0.78 CALCRL (0.48) CALCRL
SCHEMBL22588029 0.78 CALCRL (0.54) CALCRL
SCHEMBL12655359 0.77 CALCRL (0.62) CALCRL
SCHEMBL17870757 0.76 CALCRL (0.63) CALCRL
SCHEMBL14410249 0.76 CALCRL (0.58) CALCRL
SCHEMBL14486675 0.76 CALCRL (0.59) CALCRL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0927192-B1 MODIFIED AMINOACIDS, PHARMACEUTICALS CONTAINING THESE COMPOUNDS AND METHOD FOR THEIR PRODUCTION BOEHRINGER INGELHEIM PHARMA (DE) 2004-05-12 EP disclosed