SCHEMBL29440832

SCHEMBL29440832

CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)NCC(N)=O)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 8/20 0.53
▸ OPRK1 P41145 8/20 0.53
▸ APLNR P35414 1/20 0.52
▸ TFPI P10646 4/20 0.49
▸ RAMP3 O60896 2/20 0.48
▸ CALCR P30988 2/20 0.48
▸ CALCA P06881 1/20 0.47
▸ NMUR2 Q9GZQ4 1/20 0.47
▸ NMUR1 Q9HB89 1/20 0.47
▸ OPRD1 P41143 1/20 0.47
▸ IL23R Q5VWK5 1/20 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
SCHEMBL29440833 0.95 OPRM1 (0.54) OPRM1OPRK1APLNRTFPIRAMP3
SCHEMBL31433260 0.85 RAMP3 (0.55) APLNRRAMP3CALCRNMUR2NMUR1
SCHEMBL31433268 0.85 RAMP3 (0.55) APLNRRAMP3CALCRNMUR2NMUR1
SCHEMBL25475911 0.84 APLNR (0.50) OPRM1OPRK1APLNRTFPIRAMP3
SCHEMBL29568631 0.84 RAMP3 (0.50) OPRM1OPRK1RAMP3CALCRNMUR2
SCHEMBL29568528 0.84 RAMP3 (0.50) OPRM1OPRK1RAMP3CALCRNMUR2
SCHEMBL15182357 0.84 OPRM1 (0.64) OPRM1OPRK1APLNROPRD1
SCHEMBL29568732 0.84 NMUR2 (0.47) OPRM1OPRK1APLNRRAMP3CALCR
SCHEMBL31433337 0.84 RAMP3 (0.55) APLNRRAMP3CALCRIL23R
SCHEMBL29569305 0.84 RAMP3 (0.50) OPRM1OPRK1RAMP3CALCRNMUR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110193087-B Tumor microenvironment response type diagnosis and treatment integrated nanoprobe and preparation method thereof 山西医科大学 2022-02-08 — — CN claimed
CN-110193087-B Tumor microenvironment response type diagnosis and treatment integrated nanoprobe and preparation method thereof 山西医科大学 2022-02-08 — — CN disclosed
Send feedback