SCHEMBL30997474

SCHEMBL30997474

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 2/20 0.51
▸ MC4R P32245 1/20 0.50
▸ PLK1 P53350 1/20 0.50
▸ OPRM1 P35372 6/20 0.49
▸ OPRK1 P41145 6/20 0.49
▸ CTSL P07711 3/20 0.49
▸ CTSS P25774 3/20 0.49
▸ CTSK P43235 3/20 0.49
▸ CTSH P09668 1/20 0.49
▸ C5AR1 P21730 1/20 0.47
▸ RAMP3 O60896 3/20 0.46
▸ CALCR P30988 3/20 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
SCHEMBL29607506 0.90 APLNR (0.56) APLNRMC4RPLK1OPRM1OPRK1
SCHEMBL29606819 0.89 APLNR (0.57) APLNRMC4RPLK1OPRM1OPRK1
SCHEMBL29607035 0.89 APLNR (0.55) APLNRMC4RPLK1OPRM1OPRK1
SCHEMBL29607754 0.89 APLNR (0.56) APLNRMC4RPLK1OPRM1OPRK1
SCHEMBL30537456 0.88 APLNR (0.55) APLNRMC4ROPRM1OPRK1C5AR1
SCHEMBL30398324 0.88 APLNR (0.54) APLNRPLK1OPRM1OPRK1CTSL
SCHEMBL29608111 0.87 APLNR (0.55) APLNRMC4ROPRM1OPRK1C5AR1
SCHEMBL29607152 0.87 APLNR (0.55) APLNRMC4ROPRM1OPRK1C5AR1
SCHEMBL29608108 0.87 APLNR (0.55) APLNRMC4ROPRM1OPRK1C5AR1
SCHEMBL29844803 0.87 APLNR (0.53) APLNRMC4RPLK1OPRM1OPRK1

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-20240230663-A1 METHODS, COMPOSITIONS, AND SYSTEMS FOR PROFILING OR PREDICTING AN IMMUNE RESPONSE AVAIL BIO INC (US) 2024-07-11 — — US disclosed
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