Sugi Predict

Sugi Predict / Compounds / SCHEMBL29365490

SCHEMBL29365490

SCHEMBL29365490

CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCCN)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.62
▸ VIPR1 P32241 2/20 0.59
▸ OPRM1 P35372 1/20 0.57
▸ OPRD1 P41143 1/20 0.57
▸ OPRK1 P41145 1/20 0.57
▸ GLP1R P43220 2/20 0.56
▸ VIPR2 P41587 3/20 0.56
▸ KISS1R Q969F8 3/20 0.55

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
SCHEMBL30844083 0.96 OPRM1 (0.61) TFPIVIPR1OPRM1OPRD1OPRK1
SCHEMBL30906588 0.94 TFPI (0.61) TFPIVIPR1OPRM1OPRD1OPRK1
SCHEMBL30668120 0.93 OPRM1 (0.60) TFPIVIPR1OPRM1OPRD1OPRK1
SCHEMBL31000935 0.93 TFPI (0.65) TFPIVIPR1OPRM1OPRD1OPRK1
SCHEMBL30432094 0.92 VIPR1 (0.61) TFPIVIPR1GLP1RVIPR2
SCHEMBL31683259 0.91 TFPI (0.64) TFPIVIPR1OPRM1OPRD1OPRK1
SCHEMBL30120636 0.91 TFPI (0.66) TFPIVIPR1GLP1R
SCHEMBL30721553 0.91 TFPI (0.66) TFPIVIPR1GLP1R
SCHEMBL29373682 0.91 TFPI (0.68) TFPIVIPR1OPRM1OPRD1OPRK1
SCHEMBL30498562 0.91 TFPI (0.60) TFPIVIPR1GLP1R

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
CN-113993892-A Constructs targeting labyrinth proteins or parts thereof and uses of said constructs 莱比锡免疫治疗(美国)有限公司 2022-01-28 — — CN disclosed
Send feedback