SCHEMBL29496437

SCHEMBL29496437

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 1/20 0.43
▸ RAMP3 O60896 7/20 0.42
▸ CALCR P30988 7/20 0.42
▸ APLNR P35414 1/20 0.42
▸ CALCRL Q16602 3/20 0.41
▸ RAMP1 O60894 1/20 0.41
▸ EPHA2 P29317 1/20 0.40
▸ ITGB1 P05556 1/20 0.40
▸ ITGA4 P13612 1/20 0.40
▸ CXCR4 P61073 1/20 0.40
▸ CTSL P07711 1/20 0.40
▸ CTSS P25774 1/20 0.40
▸ CTSK P43235 1/20 0.40
▸ OPRM1 P35372 2/20 0.40
▸ OPRK1 P41145 2/20 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
SCHEMBL29496498 0.96 RAMP3 (0.45) PLK1RAMP3CALCRAPLNRCALCRL
SCHEMBL29496489 0.96 PLK1 (0.45) PLK1RAMP3CALCRAPLNRITGB1
SCHEMBL29496428 0.95 RAMP3 (0.43) PLK1RAMP3CALCRAPLNRCALCRL
SCHEMBL30997432 0.91 RAMP3 (0.43) PLK1RAMP3CALCRAPLNREPHA2
SCHEMBL29823809 0.90 RAMP3 (0.45) PLK1RAMP3CALCRAPLNR
SCHEMBL29496452 0.90 PLK1 (0.44) PLK1RAMP3CALCRITGB1ITGA4
SCHEMBL29823805 0.89 RAMP3 (0.39) PLK1RAMP3CALCRAPLNRITGB1
SCHEMBL29496455 0.86 RAMP3 (0.46) RAMP3CALCREPHA2CTSLCTSS
SCHEMBL29496425 0.86 RAMP3 (0.49) PLK1RAMP3CALCRITGB1ITGA4
SCHEMBL31307224 0.86 RAMP3 (0.49) PLK1RAMP3CALCRAPLNR

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-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
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