SCHEMBL17209374

SCHEMBL17209374

CC(C)[C@H](NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@H](C(N)=O)C(C)O

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NLN Q9BYT8 2/20 0.45
▸ CYP3A4 P08684 1/20 0.44
▸ SLC7A5 Q01650 1/20 0.44

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
SCHEMBL23484143 0.83 CYP3A4 (0.56) NLNCYP3A4SLC7A5
SCHEMBL18780172 0.82 NLN (0.43) NLN
SCHEMBL15712096 0.80 NLN (0.45) NLNCYP3A4SLC7A5
SCHEMBL29372871 0.76 REN (0.53) —
SCHEMBL31066572 0.76 CYP3A4 (0.63) CYP3A4SLC7A5
SCHEMBL29369845 0.76 GRPR (0.47) —
SCHEMBL18862447 0.76 CYP3A4 (0.61) NLNCYP3A4SLC7A5
SCHEMBL29582590 0.74 IL23R (0.43) CYP3A4SLC7A5
SCHEMBL29429285 0.74 CYP3A4 (0.59) NLNCYP3A4SLC7A5
SCHEMBL27432299 0.73 CYP3A4 (0.66) NLNCYP3A4SLC7A5

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-2351777-B1 ANTI-MUC1 ANTIBODY SHIONOGI & CO (JP) 2015-10-28 — — EP disclosed
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