SCHEMBL29630582

SCHEMBL29630582

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

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRB2 P62993 1/20 0.49
F2 P00734 1/20 0.44
XIAP P98170 1/20 0.44
OPRM1 P35372 4/20 0.43
NRP1 O14786 1/20 0.43
DPP4 P27487 1/20 0.42
FAP Q12884 1/20 0.42
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
CAPN1 P07384 4/20 0.42
CTSB P07858 1/20 0.41
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40

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
SCHEMBL29641763 0.92 DPP4 (0.51) GRB2F2XIAPOPRM1DPP4
SCHEMBL30473075 0.92 DPP4 (0.51) GRB2F2XIAPOPRM1DPP4
SCHEMBL29485135 0.88 OPRM1 (0.51) GRB2F2XIAPOPRM1DPP4
SCHEMBL29641611 0.88 DPP4 (0.55) GRB2F2XIAPOPRM1DPP4
SCHEMBL29664244 0.88 OPRM1 (0.57) F2OPRM1OPRD1OPRK1
SCHEMBL29413028 0.87 F2 (0.56) GRB2F2XIAPOPRM1DPP4
SCHEMBL30075945 0.86 XIAP (0.44) GRB2F2XIAPOPRM1OPRD1
SCHEMBL29572637 0.86 DPP4 (0.47) GRB2XIAPOPRM1DPP4DPP8
SCHEMBL29591680 0.85 GRB2 (0.47) GRB2F2OPRM1NRP1OPRD1
SCHEMBL31114474 0.84 F2 (0.53) GRB2F2XIAPOPRM1NRP1

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
US-11807899-B2 Biochemical reaction methods and reagents comprising intrinsically disordered regions Biocrucible Limited 2023-11-07 US disclosed
US-20220145378-A1 BIOCHEMICAL REACTION METHODS AND REAGENTS COMPRISING INTRINSICALLY DISORDERED REGIONS Biocrucible Limited (GB) 2022-05-12 US disclosed