SCHEMBL30997432

SCHEMBL30997432

C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC(=O)O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RAMP3 O60896 7/20 0.43
▸ CALCR P30988 7/20 0.43
▸ APLNR P35414 1/20 0.43
▸ EPHA2 P29317 2/20 0.42
▸ CTSL P07711 2/20 0.41
▸ CTSS P25774 2/20 0.41
▸ CTSK P43235 2/20 0.41
▸ OPRM1 P35372 3/20 0.41
▸ OPRK1 P41145 3/20 0.41
▸ CTSH P09668 1/20 0.41
▸ GRB2 P62993 1/20 0.41
▸ PLK1 P53350 1/20 0.41
▸ CXCR4 P61073 1/20 0.41

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
SCHEMBL29496489 0.92 PLK1 (0.45) RAMP3CALCRAPLNRCTSLCTSS
SCHEMBL29496437 0.91 PLK1 (0.43) RAMP3CALCRAPLNREPHA2CTSL
SCHEMBL29496498 0.89 RAMP3 (0.45) RAMP3CALCRAPLNREPHA2PLK1
SCHEMBL29496455 0.86 RAMP3 (0.46) RAMP3CALCREPHA2CTSLCTSS
SCHEMBL29496428 0.86 RAMP3 (0.43) RAMP3CALCRAPLNREPHA2PLK1
SCHEMBL29993199 0.85 CXCR4 (0.49) RAMP3CALCREPHA2OPRM1OPRK1
SCHEMBL29496452 0.85 PLK1 (0.44) RAMP3CALCROPRM1GRB2PLK1
SCHEMBL7785535 0.85 NTSR2 (0.42) RAMP3CALCREPHA2OPRM1GRB2
SCHEMBL30198664 0.85 DPP4 (0.45) RAMP3CALCREPHA2OPRM1GRB2
SCHEMBL29496425 0.85 RAMP3 (0.49) RAMP3CALCRGRB2PLK1

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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