SCHEMBL24668333

SCHEMBL24668333

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 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GRB2 P62993 1/20 0.38
▸ XIAP P98170 1/20 0.38
▸ NRP1 O14786 1/20 0.38
▸ OPRM1 P35372 1/20 0.35
▸ OPRD1 P41143 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ DPP4 P27487 2/20 0.35
▸ FAP Q12884 2/20 0.35
▸ DPP7 Q9UHL4 2/20 0.35
▸ PREP P48147 1/20 0.35
▸ DPP8 Q6V1X1 1/20 0.35
▸ DPP9 Q86TI2 1/20 0.35
▸ APLNR P35414 1/20 0.35

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
SCHEMBL20694557 0.88 OPRM1 (0.43) GRB2NRP1OPRM1OPRK1
SCHEMBL30404662 0.80 OPRM1 (0.48) NRP1OPRM1OPRK1APLNR
SCHEMBL29802139 0.79 F2 (0.49) GRB2XIAPNRP1OPRM1
SCHEMBL29802185 0.78 ACE (0.50) OPRK1APLNR
SCHEMBL22803172 0.77 OPRM1 (0.43) NRP1OPRM1OPRK1
SCHEMBL29974998 0.77 ACE (0.49) GRB2XIAPNRP1
SCHEMBL29802048 0.76 GRB2 (0.52) GRB2XIAPNRP1OPRM1
SCHEMBL10297469 0.76 XIAP (0.43) XIAP
SCHEMBL10297432 0.76 XIAP (0.43) XIAP
SCHEMBL23417888 0.74 GRB2 (0.42) GRB2XIAPNRP1

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-2022246086-A1 ANTIBODY DRUG CONJUGATES USING MATES TECHNOLOGY FOR DELIVERING CYTOTOXIC AGENTS BIOHAVEN THERAPEUTICS LTD. (US) 2022-11-24 — — WO disclosed
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