SCHEMBL29630646

SCHEMBL29630646

NCCCC[C@H](N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 1/20 0.56
▸ OPRM1 P35372 4/20 0.46
▸ OPRD1 P41143 4/20 0.46
▸ CHRNA1 P02708 1/20 0.46
▸ CHRNG P07510 1/20 0.46
▸ CHRNB1 P11230 1/20 0.46
▸ CHRND Q07001 1/20 0.46
▸ OPRK1 P41145 1/20 0.46
▸ CALCRL Q16602 1/20 0.45
▸ QRFPR Q96P65 1/20 0.44

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
SCHEMBL29424183 0.94 MMP2 (0.61) MMP2OPRM1OPRD1CHRNA1CHRNG
SCHEMBL7586807 0.88 OPRD1 (0.55) MMP2OPRM1OPRD1CHRNA1CHRNG
SCHEMBL7586788 0.88 OPRD1 (0.55) MMP2OPRM1OPRD1CHRNA1CHRNG
SCHEMBL30478748 0.88 MMP2 (0.55) MMP2CHRNA1CHRNGCHRNB1CHRND
SCHEMBL30903442 0.88 OPRM1 (0.48) OPRM1OPRD1OPRK1
SCHEMBL29679605 0.88 MMP2 (0.52) MMP2OPRM1OPRD1CHRNA1CHRNG
SCHEMBL30179375 0.88 MMP2 (0.58) MMP2OPRK1
SCHEMBL10523181 0.87 MMP2 (0.60) MMP2OPRM1OPRD1CHRNA1CHRNG
SCHEMBL31759049 0.87 MMP2 (0.53) MMP2OPRM1OPRD1OPRK1
SCHEMBL29737836 0.86 NMT1 (0.45) MMP2

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
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