SCHEMBL29607754

SCHEMBL29607754

CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APLNR P35414 3/20 0.56
OPRM1 P35372 6/20 0.50
OPRK1 P41145 6/20 0.50
C5AR1 P21730 1/20 0.50
NMUR2 Q9GZQ4 1/20 0.49
NMUR1 Q9HB89 1/20 0.49
MC4R P32245 1/20 0.49
PLK1 P53350 1/20 0.48
CTSL P07711 2/20 0.48
CTSS P25774 2/20 0.48
CTSK P43235 2/20 0.48
CTSH P09668 1/20 0.48
RAMP3 O60896 3/20 0.47
CALCR P30988 3/20 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
SCHEMBL29606819 0.99 APLNR (0.57) APLNROPRM1OPRK1C5AR1NMUR2
SCHEMBL29607035 0.99 APLNR (0.55) APLNROPRM1OPRK1C5AR1NMUR2
SCHEMBL29607506 0.99 APLNR (0.56) APLNROPRM1OPRK1C5AR1NMUR2
SCHEMBL29608384 0.96 APLNR (0.56) APLNROPRM1OPRK1C5AR1MC4R
SCHEMBL29607109 0.96 APLNR (0.56) APLNROPRM1OPRK1C5AR1MC4R
SCHEMBL29607152 0.96 APLNR (0.55) APLNROPRM1OPRK1C5AR1MC4R
SCHEMBL29608111 0.96 APLNR (0.55) APLNROPRM1OPRK1C5AR1MC4R
SCHEMBL29845487 0.95 APLNR (0.52) APLNRNMUR2NMUR1MC4RCTSL
SCHEMBL29844803 0.94 APLNR (0.53) APLNROPRM1OPRK1C5AR1NMUR2
SCHEMBL29607159 0.93 MC4R (0.51) APLNROPRM1OPRK1MC4RPLK1

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
US-20220120732-A1 TREATMENT OF DISEASES WITH MULTIMERIC PEPTIDES RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2022-04-21 US disclosed