SCHEMBL5991216

SCHEMBL5991216

N=C(N)NCCC[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CS)C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 6/20 0.52
▸ KISS1R Q969F8 5/20 0.52
▸ PRKACB P22694 1/20 0.51
▸ UTS2R Q9UKP6 1/20 0.49
▸ IL23R Q5VWK5 5/20 0.48
▸ ECE1 P42892 1/20 0.48
▸ NPBWR1 P48145 1/20 0.47

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
SCHEMBL6369909 0.92 KISS1R (0.61) MC4RKISS1R
SCHEMBL5991126 0.91 MC4R (0.58) MC4RKISS1RPRKACBUTS2RIL23R
SCHEMBL17849845 0.89 KISS1R (0.59) MC4RKISS1RPRKACBUTS2RIL23R
SCHEMBL5990008 0.88 CCKBR (0.51) MC4RKISS1RPRKACBUTS2RIL23R
SCHEMBL5990358 0.88 MC4R (0.52) MC4RKISS1RPRKACBUTS2RECE1
SCHEMBL16421640 0.87 KISS1R (0.52) MC4RKISS1RPRKACBUTS2RIL23R
SCHEMBL17350015 0.87 IL23R (0.56) MC4RIL23RNPBWR1
SCHEMBL5990130 0.86 KISS1R (0.59) MC4RKISS1RPRKACBIL23RNPBWR1
SCHEMBL5989629 0.85 KISS1R (0.56) MC4RKISS1RPRKACBIL23RNPBWR1
SCHEMBL30775073 0.85 UTS2R (0.54) MC4RKISS1RUTS2RECE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060240481-A1 Melanocortin Metallopeptode Combinatorial Libraries and Applications PALATIN TECHNOLOGIES, INC. (US) 2006-10-26 — — US disclosed
US-7049398-B1 Melanocortin metallopeptide constructs, combinatorial libraries and applications PALATIN TECHNOLOGIES, INC. (US) 2006-05-23 — — US disclosed
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