SCHEMBL29679632

SCHEMBL29679632

CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@@H](N)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.63
▸ GLP1R P43220 4/20 0.55
▸ ECE1 P42892 1/20 0.55
▸ MUS81 Q96NY9 1/20 0.55
▸ SCTR P47872 1/20 0.54
▸ VIPR1 P32241 1/20 0.53
▸ OPRM1 P35372 1/20 0.53
▸ OPRD1 P41143 1/20 0.53
▸ OPRK1 P41145 1/20 0.53
▸ PTH1R Q03431 1/20 0.52
▸ RAMP3 O60896 1/20 0.52
▸ CALCR P30988 1/20 0.52
▸ NR3C1 P04150 1/20 0.52
▸ NPY5R Q15761 3/20 0.52
▸ NPY1R P25929 2/20 0.52
▸ NPY4R P50391 2/20 0.52

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
SCHEMBL30883210 0.94 TFPI (0.56) TFPIGLP1RECE1MUS81SCTR
SCHEMBL30484712 0.94 TFPI (0.71) TFPIGLP1RPTH1RNR3C1
SCHEMBL30495846 0.90 TFPI (0.65) TFPIGLP1RECE1MUS81SCTR
SCHEMBL29591183 0.89 TFPI (0.67) TFPIGLP1RECE1MUS81VIPR1
SCHEMBL30495615 0.89 TFPI (0.62) TFPIGLP1RVIPR1PTH1R
SCHEMBL30609200 0.89 TFPI (0.66) TFPIGLP1RECE1MUS81SCTR
Misgurin SCHEMBL29509599 0.88 TFPI (0.72) TFPIGLP1RECE1MUS81SCTR
SCHEMBL31183006 0.88 TFPI (0.65) TFPIGLP1RECE1MUS81SCTR
SCHEMBL31145953 0.88 TFPI (0.59) TFPIGLP1RECE1MUS81SCTR
SCHEMBL30607319 0.88 TFPI (0.71) TFPIGLP1RECE1MUS81VIPR1

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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