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SCHEMBL29496452

SCHEMBL29496452

N=C(N)NCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCC(=O)O)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 1/20 0.44
▸ RAMP3 O60896 11/20 0.43
▸ CALCR P30988 11/20 0.43
▸ OPRM1 P35372 1/20 0.41
▸ OPRD1 P41143 1/20 0.41
▸ GRB2 P62993 1/20 0.40
▸ ITGB1 P05556 1/20 0.40
▸ ITGA4 P13612 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
SCHEMBL29823805 0.94 RAMP3 (0.39) PLK1RAMP3CALCRGRB2ITGB1
SCHEMBL29823809 0.94 RAMP3 (0.45) PLK1RAMP3CALCR
SCHEMBL29496489 0.94 PLK1 (0.45) PLK1RAMP3CALCRITGB1ITGA4
SCHEMBL29496498 0.94 RAMP3 (0.45) PLK1RAMP3CALCR
SCHEMBL29496425 0.93 RAMP3 (0.49) PLK1RAMP3CALCRGRB2ITGB1
SCHEMBL31410831 0.93 KEAP1 (0.42) PLK1RAMP3CALCR
SCHEMBL29496428 0.91 RAMP3 (0.43) PLK1RAMP3CALCR
SCHEMBL30658573 0.90 NMUR2 (0.43) PLK1OPRM1OPRD1GRB2
SCHEMBL29496437 0.90 PLK1 (0.43) PLK1RAMP3CALCROPRM1ITGB1
SCHEMBL29880164 0.90 RAMP3 (0.49) RAMP3CALCROPRM1OPRD1

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
US-20220235111-A1 Variant Single-Chain Insulin Analogues CASE WESTERN RESERVE UNIVERSITY 2022-07-28 — — US disclosed
US-20220235111-A1 Variant Single-Chain Insulin Analogues CASE WESTERN RESERVE UNIVERSITY 2022-07-28 — — US disclosed
EP-3969467-A2 VARIANT SINGLE-CHAIN INSULIN ANALOGUES CASE WESTERN RESERVE UNIVERSITY (US) 2022-03-23 — — EP disclosed
EP-3969467-A2 VARIANT SINGLE-CHAIN INSULIN ANALOGUES CASE WESTERN RESERVE UNIVERSITY (US) 2022-03-23 — — EP disclosed
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