SCHEMBL20694557

SCHEMBL20694557

C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)I

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 10/20 0.43
▸ OPRK1 P41145 10/20 0.43
▸ EPHA2 P29317 2/20 0.42
▸ NRP1 O14786 1/20 0.41
▸ CXCR4 P61073 1/20 0.39
▸ RAMP3 O60896 3/20 0.39
▸ CALCR P30988 3/20 0.39
▸ GRB2 P62993 1/20 0.39

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
SCHEMBL30404662 0.93 OPRM1 (0.48) OPRM1OPRK1EPHA2NRP1
SCHEMBL22803172 0.89 OPRM1 (0.43) OPRM1OPRK1EPHA2NRP1
SCHEMBL24668333 0.88 GRB2 (0.38) OPRM1OPRK1NRP1GRB2
SCHEMBL29571998 0.86 OPRM1 (0.48) OPRM1OPRK1EPHA2NRP1RAMP3
SCHEMBL30416412 0.85 GRB2 (0.47) OPRM1OPRK1EPHA2NRP1RAMP3
SCHEMBL29802094 0.84 OPRM1 (0.45) OPRM1OPRK1EPHA2NRP1RAMP3
SCHEMBL22872708 0.84 NRP1 (0.54) OPRM1OPRK1EPHA2NRP1GRB2
SCHEMBL20694547 0.84 NRP1 (0.46) OPRM1OPRK1EPHA2NRP1RAMP3
SCHEMBL29572497 0.84 OPRM1 (0.55) OPRM1OPRK1CXCR4
SCHEMBL22803169 0.83 NRP1 (0.45) OPRM1OPRK1EPHA2NRP1RAMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021102052-A1 DIRECTED CONJUGATION TECHNOLOGIES KLEO PHARMACEUTICALS, INC. (US) 2021-05-27 — — WO disclosed
WO-2021003050-A2 CD38-BINDING AGENTS AND USES THEREOF KLEO PHARMACEUTICALS, INC. (US) 2021-01-07 — — WO disclosed
WO-2020132588-A1 COMBINATION THERAPY OF ARMS AND NATURAL KILLER CELLS KLEO PHARMACEUTICALS, INC. (US) 2020-06-25 — — WO disclosed
WO-2019023501-A1 UNIVERSAL ABT COMPOUNDS AND USES THEREOF KLEO PHARMACEUTICALS, INC. (US) 2019-01-31 — — WO disclosed
Send feedback