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SCHEMBL21392382

SCHEMBL21392382

CNC(CCNC(=O)CCC(NC(=O)C1CCCCC1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NC(Cc1ccccc1)C(=O)N[C@H](C=O)CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 6/20 0.53
▸ CTSL P07711 3/20 0.49
▸ CTSS P25774 3/20 0.49
▸ CTSK P43235 3/20 0.49
▸ CTSH P09668 1/20 0.49
▸ C5AR1 P21730 1/20 0.48
▸ MC4R P32245 5/20 0.48
▸ IL23R Q5VWK5 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
SCHEMBL21392390 0.91 MC4R (0.50) KISS1RCTSLCTSSCTSKCTSH
SCHEMBL18716922 0.88 MC4R (0.55) KISS1RCTSLCTSSCTSKCTSH
SCHEMBL18717207 0.86 MC4R (0.53) KISS1RCTSLCTSSCTSKCTSH
SCHEMBL18717198 0.86 MC4R (0.53) KISS1RCTSLCTSSCTSKCTSH
SCHEMBL21392376 0.83 MC4R (0.45) KISS1RCTSLCTSSCTSKCTSH
SCHEMBL21392455 0.82 KISS1R (0.46) KISS1RCTSLCTSSCTSKCTSH
SCHEMBL18716898 0.81 MC4R (0.56) MC4RIL23R
SCHEMBL18716912 0.81 MC4R (0.58) MC4RIL23R
SCHEMBL18716989 0.80 MC4R (0.56) MC4RIL23R
SCHEMBL19473851 0.80 IL23R (0.57) MC4RIL23R

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
WO-2019183472-A1 MELANOCORTIN RECEPTOR-SPECIFIC PEPTIDE FORMULATIONS AND METHODS FOR GASTROINTESTINAL TRACT-SPECIFIC DELIVERY PALATIN TECHNOLOGIES, INC. (US) 2019-09-26 — — WO disclosed
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