SCHEMBL29849560

SCHEMBL29849560

CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 4/20 0.52
▸ CALCR P30988 4/20 0.52
▸ GLP1R P43220 4/20 0.51
▸ SCTR P47872 1/20 0.51
▸ BACE1 P56817 1/20 0.49
▸ TFPI P10646 1/20 0.49
▸ OPRM1 P35372 2/20 0.48
▸ OPRD1 P41143 2/20 0.48
▸ OPRK1 P41145 1/20 0.48

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
SCHEMBL7628730 0.98 F2 (0.51) F2CALCRGLP1RSCTRBACE1
SCHEMBL7628716 0.98 F2 (0.51) F2CALCRGLP1RSCTRBACE1
SCHEMBL29798070 0.98 F2 (0.55) F2CALCRGLP1RSCTRBACE1
SCHEMBL30184285 0.98 F2 (0.51) F2CALCRGLP1RSCTRBACE1
SCHEMBL34460635 0.96 CALCR (0.55) F2CALCRGLP1RSCTRBACE1
SCHEMBL31622472 0.96 CALCR (0.55) F2CALCRGLP1RSCTRBACE1
SCHEMBL31622473 0.94 CALCR (0.55) F2CALCRGLP1RSCTRBACE1
SCHEMBL34460636 0.93 CALCR (0.59) F2CALCRGLP1RSCTRTFPI
SCHEMBL38665433 0.92 CALCR (0.54) F2CALCRGLP1RSCTRBACE1
SCHEMBL30746744 0.92 CALCR (0.58) F2CALCRGLP1RSCTRTFPI

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-20240041986-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT AND PREVENTION OF TYPE 1 DIABETES DR. MARY MORRIS & ASSOCIATES, LLC (US) 2024-02-08 — — US disclosed
WO-2022173807-A2 CONFORMATIONALLY CONSTRAINED GLUCAGON ANALOGUES AND THEIR USE IN GLUCAGON-SINGLE CHAIN INSULIN FUSION PROTEINS THE TRUSTEES OF INDIANA UNIVERSITY (US) 2022-08-18 — — WO disclosed
Send feedback