SCHEMBL29680178

SCHEMBL29680178

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nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 4/20 0.45
▸ XIAP P98170 1/20 0.44
▸ RAMP1 O60894 1/20 0.43
▸ OPRD1 P41143 3/20 0.42
▸ NTSR1 P30989 5/20 0.42
▸ CALCR P30988 4/20 0.42
▸ NTSR2 O95665 3/20 0.42
▸ F2 P00734 1/20 0.41
▸ SORT1 Q99523 1/20 0.41

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
SCHEMBL29679669 0.95 CALCRL (0.43) CALCRLXIAPRAMP1NTSR1CALCR
SCHEMBL29679838 0.90 CALCRL (0.43) CALCRLXIAPCALCRF2
SCHEMBL29679565 0.89 XIAP (0.44) CALCRLXIAPNTSR1NTSR2F2
SCHEMBL29679788 0.85 F2 (0.54) OPRD1NTSR1CALCRNTSR2F2
SCHEMBL22484304 0.84 XIAP (0.50) CALCRLXIAPNTSR1NTSR2SORT1
SCHEMBL22484305 0.84 XIAP (0.50) CALCRLXIAPNTSR1NTSR2SORT1
SCHEMBL25524189 0.81 XIAP (0.53) CALCRLXIAPNTSR1NTSR2SORT1
SCHEMBL30085018 0.80 NTSR1 (0.47) OPRD1NTSR1NTSR2F2SORT1
SCHEMBL25524242 0.80 AGTR2 (0.50) CALCRLXIAPNTSR1NTSR2SORT1
SCHEMBL29401292 0.79 XIAP (0.47) CALCRLXIAPNTSR1NTSR2F2

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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