SCHEMBL19444259

SCHEMBL19444259

CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCNC(=N)N)C(=O)NN

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 6/20 0.56
▸ KMT2A Q03164 2/20 0.54
▸ BCL2A1 Q16548 2/20 0.52
▸ BID P55957 1/20 0.52
▸ KISS1R Q969F8 4/20 0.52
▸ PRKACB P22694 1/20 0.49

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
SCHEMBL13599545 1.00 MC4R (0.56) MC4RKMT2ABCL2A1BIDKISS1R
SCHEMBL13599542 0.95 MC4R (0.52) MC4RKMT2AKISS1RPRKACB
SCHEMBL28058267 0.93 MC4R (0.60) MC4RKMT2ABCL2A1BIDKISS1R
SCHEMBL28058268 0.93 MC4R (0.60) MC4RKMT2ABCL2A1BIDKISS1R
SCHEMBL30028772 0.92 MC4R (0.57) MC4RKMT2ABCL2A1BIDKISS1R
SCHEMBL28235858 0.92 ACE (0.57) MC4RKMT2A
SCHEMBL13604887 0.92 MC4R (0.57) MC4RKMT2ABCL2A1BIDKISS1R
SCHEMBL13599541 0.90 MC4R (0.56) MC4RKMT2ABCL2A1BID
SCHEMBL29419957 0.90 MC4R (0.63) MC4RKISS1R
SCHEMBL29476543 0.90 MC4R (0.68) MC4RKISS1R

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-2056106-B1 SUGAR CHAIN-CAPTURING SUBSTANCE AND USE THEREOF SUMITOMO BAKELITE CO (JP) 2017-10-11 — — EP disclosed
Send feedback