SCHEMBL19334761

SCHEMBL19334761

CC/N=C\NCC[C@H](NC(=O)[C@H](CCCC(=O)O)NC(=O)[C@H](CSC)N1C(=O)CNC1=O)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ IL23R Q5VWK5 7/20 0.46
▸ KISS1R Q969F8 5/20 0.45
▸ CCKBR P32239 3/20 0.45
▸ MC4R P32245 2/20 0.45

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
SCHEMBL20108232 0.92 IL23R (0.48) IL23RKISS1RCCKBRMC4R
SCHEMBL20108285 0.92 IL23R (0.48) IL23RKISS1RCCKBRMC4R
SCHEMBL20108313 0.86 IL23R (0.49) IL23RKISS1RMC4R
SCHEMBL23430286 0.84 KISS1R (0.49) IL23RKISS1R
SCHEMBL20108505 0.82 MC4R (0.58) IL23RMC4R
SCHEMBL19334909 0.82 MC4R (0.58) IL23RMC4R
SCHEMBL19334855 0.82 MC4R (0.58) IL23RMC4R
SCHEMBL23430282 0.82 IL23R (0.49) IL23RKISS1RCCKBR
SCHEMBL23430154 0.81 IL23R (0.50) IL23RKISS1RCCKBR
SCHEMBL23430155 0.81 IL23R (0.50) IL23RKISS1RCCKBR

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
US-9758549-B2 Melanocortin receptor ligands modified with hydantoin IPSEN PHARMA S.A.S. (FR) 2017-09-12 — — US disclosed
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