SCHEMBL29679886

SCHEMBL29679886

C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 7/20 0.56
▸ NPY4R P50391 7/20 0.56
▸ NPY1R P25929 6/20 0.56
▸ TFPI P10646 1/20 0.56
▸ OPRD1 P41143 10/20 0.55
▸ OPRM1 P35372 5/20 0.55
▸ NPY2R P49146 4/20 0.55
▸ OPRK1 P41145 2/20 0.55
▸ CCKAR P32238 3/20 0.54
▸ CCKBR P32239 3/20 0.54

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
SCHEMBL29679607 0.91 TFPI (0.56) TFPI
SCHEMBL29531145 0.91 OPRD1 (0.54) NPY5RNPY4RNPY1RTFPIOPRD1
SCHEMBL30942326 0.91 OPRD1 (0.64) NPY5RNPY4RNPY1RTFPIOPRD1
SCHEMBL38660704 0.91 NPY5R (0.58) NPY5RNPY4RNPY1RTFPIOPRD1
SCHEMBL31141451 0.90 TFPI (0.65) NPY5RNPY4RNPY1RTFPIOPRD1
SCHEMBL31688334 0.90 OPRD1 (0.57) NPY5RNPY4RNPY1RTFPIOPRD1
SCHEMBL20764456 0.90 TFPI (0.57) TFPI
SCHEMBL30429239 0.89 TFPI (0.62) NPY5RNPY4RNPY1RTFPIOPRD1
SCHEMBL29375862 0.88 NPY4R (0.62) NPY5RNPY4RNPY1RTFPIOPRD1
SCHEMBL30350874 0.88 TFPI (0.55) NPY5RNPY4RNPY1RTFPIOPRD1

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
WO-2022069704-A2 IMMUNODIAGNOSTIC AGENTS AND METHODS FOR THE DETECTION AND DIFFERENTIATION OF CORONAVIRUS INFECTIONS INSTITUT FÜR MOLEKULARE DIAGNOSTIK UND BIOANALYTIK (IMDB) GGMBH (DE) 2022-04-07 — — WO disclosed
Send feedback