SCHEMBL18748004

SCHEMBL18748004

CNCCCC[C@@H]1NC(=O)CSC[C@@H](C(=O)S)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC1=O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 9/20 0.52
▸ MC5R P33032 9/20 0.52
▸ MC3R P41968 9/20 0.52
▸ MC1R Q01726 9/20 0.52
▸ CTSG P08311 2/20 0.50
▸ ITGB3 P05106 5/20 0.49
▸ ITGA2B P08514 4/20 0.49
▸ ITGB1 P05556 1/20 0.48
▸ ITGAV P06756 1/20 0.48
▸ ITGA5 P08648 1/20 0.48
▸ ITGB5 P18084 1/20 0.48
▸ PLAU P00749 1/20 0.48
▸ GRB7 Q14451 1/20 0.48
▸ TSLP Q969D9 2/20 0.46

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
SCHEMBL14962542 0.95 MC4R (0.53) MC4RMC5RMC3RMC1RCTSG
SCHEMBL18507118 0.95 MC4R (0.52) MC4RMC5RMC3RMC1RCTSG
SCHEMBL22808197 0.95 MC4R (0.52) MC4RMC5RMC3RMC1RCTSG
SCHEMBL22382219 0.94 MC4R (0.52) MC4RMC5RMC3RMC1RCTSG
SCHEMBL22382215 0.90 TSLP (0.54) MC4RMC5RMC3RMC1RCTSG
SCHEMBL14107743 0.90 TSLP (0.54) MC4RMC5RMC3RMC1RCTSG
SCHEMBL14107827 0.90 TSLP (0.54) MC4RMC5RMC3RMC1RCTSG
SCHEMBL20809943 0.89 GRB7 (0.54) MC4RMC5RMC3RMC1RCTSG
SCHEMBL12462669 0.89 GRB7 (0.54) MC4RMC5RMC3RMC1RCTSG
SCHEMBL10046415 0.89 GRB7 (0.54) MC4RMC5RMC3RMC1RCTSG

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
EP-2467365-B1 RADIOIODINATION METHOD GE HEALTHCARE LTD (GB) 2017-08-09 — — EP disclosed
EP-2509638-B1 IODINE RADIOLABELLING METHOD GE HEALTHCARE LTD (GB) 2017-04-19 — — EP disclosed
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