SCHEMBL24716410

SCHEMBL24716410

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NRP1 O14786 2/20 0.45
▸ OPRM1 P35372 7/20 0.43
▸ OPRK1 P41145 7/20 0.43
▸ GRB2 P62993 1/20 0.42
▸ EPHA2 P29317 2/20 0.42
▸ MAPK8 P45983 1/20 0.41
▸ MAPK9 P45984 1/20 0.41
▸ MAPK10 P53779 1/20 0.41
▸ NMUR2 Q9GZQ4 2/20 0.40
▸ NMUR1 Q9HB89 2/20 0.40
▸ XIAP P98170 1/20 0.40
▸ RAMP3 O60896 4/20 0.39
▸ CALCR P30988 4/20 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
SCHEMBL20694547 0.91 NRP1 (0.46) NRP1OPRM1OPRK1GRB2EPHA2
SCHEMBL22803169 0.89 NRP1 (0.45) NRP1OPRM1OPRK1GRB2EPHA2
SCHEMBL22872708 0.88 NRP1 (0.54) NRP1OPRM1OPRK1GRB2EPHA2
SCHEMBL30416793 0.87 NRP1 (0.46) NRP1OPRM1OPRK1GRB2EPHA2
SCHEMBL30452201 0.86 NRP1 (0.43) NRP1OPRM1OPRK1GRB2EPHA2
SCHEMBL29571627 0.85 NRP1 (0.54) NRP1OPRM1OPRK1
SCHEMBL29535207 0.85 OPRM1 (0.52) NRP1OPRM1OPRK1EPHA2RAMP3
SCHEMBL22861995 0.84 NRP1 (0.44) NRP1OPRM1OPRK1GRB2EPHA2
SCHEMBL30415970 0.84 NRP1 (0.51) NRP1OPRM1OPRK1GRB2EPHA2
SCHEMBL29462925 0.84 GRB2 (0.52) NRP1OPRM1OPRK1GRB2MAPK8

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
WO-2022245759-A2 AGENTS FOR DIRECTED CONJUGATION TECHNIQUES AND CONJUGATED PRODUCTS BIOHAVEN THERAPEUTICS LTD. (US) 2022-11-24 — — WO disclosed
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