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SCHEMBL29679607

SCHEMBL29679607

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

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.56
▸ VIPR1 P32241 4/20 0.56
▸ VIPR2 P41587 6/20 0.55
▸ KISS1R Q969F8 2/20 0.55
▸ ECE1 P42892 1/20 0.53
▸ GLP1R P43220 1/20 0.53
▸ MUS81 Q96NY9 1/20 0.53

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
SCHEMBL29679886 0.91 NPY5R (0.56) TFPI
SCHEMBL30512795 0.89 KISS1R (0.62) TFPIVIPR1VIPR2KISS1RECE1
SCHEMBL29479578 0.89 OPRM1 (0.53) TFPIVIPR1KISS1RECE1GLP1R
SCHEMBL28103409 0.89 VIPR1 (0.58) TFPIVIPR1VIPR2ECE1GLP1R
SCHEMBL29417385 0.89 PTH1R (0.54) TFPIVIPR1VIPR2KISS1RECE1
SCHEMBL29679859 0.88 TFPI (0.56) TFPIVIPR1VIPR2ECE1GLP1R
SCHEMBL20764456 0.88 TFPI (0.57) TFPI
SCHEMBL22370186 0.88 TFPI (0.57) TFPIVIPR1VIPR2ECE1GLP1R
SCHEMBL30237157 0.88 TFPI (0.57) TFPIVIPR1VIPR2ECE1GLP1R
SCHEMBL31430936 0.88 KISS1R (0.62) TFPIVIPR1VIPR2KISS1RECE1

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
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