SCHEMBL21689230

SCHEMBL21689230

CC1NC(=O)CC[C@@H](C(N)=O)NC(=O)C(CCCNC(=N)N)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CC2CCCCC2)NCC(=O)C2CCCN2C1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSLP Q969D9 4/20 0.48
MC3R P41968 11/20 0.47
MC4R P32245 10/20 0.47
MC5R P33032 9/20 0.47
ITGB3 P05106 1/20 0.46
ITGAV P06756 1/20 0.46
ITGA2B P08514 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
CD274 Q9NZQ7 1/20 0.43
F12 P00748 1/20 0.43

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
SCHEMBL21664216 0.94 MC3R (0.52) TSLPMC3RMC4RMC5RITGB3
SCHEMBL21664060 0.86 TSLP (0.53) TSLPMC3RMC4RMC5RITGB3
SCHEMBL21664161 0.83 MMP2 (0.49) TSLPMC3RMC4RMC5RITGB3
SCHEMBL21664068 0.79 TSLP (0.56) TSLPMC3RMC5RITGB3ITGAV
SCHEMBL30787065 0.77 HDAC3 (0.56) MC3RMC4RMC5RITGB3ITGAV
SCHEMBL13739916 0.76 OPRM1 (0.61) TSLPMC3RMC4RMC5RHDAC3
SCHEMBL13478156 0.76 OPRM1 (0.61) TSLPMC3RMC4RMC5RHDAC3
SCHEMBL12706706 0.76 OPRM1 (0.61) TSLPMC3RMC4RMC5RHDAC3
SCHEMBL22215559 0.75 HDAC3 (0.52) MC3RMC4RMC5RITGB3ITGAV
SCHEMBL23318098 0.75 HDAC3 (0.49) TSLPMC3RMC4RMC5RHDAC3

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-3604326-A1 PEPTIDE COMPOUND AND METHOD FOR PRODUCING SAME, COMPOSITION FOR SCREENING USE, AND METHOD FOR SELECTING PEPTIDE COMPOUND FUJIFILM Corporation (JP) 2020-02-05 EP disclosed