SCHEMBL25139028

SCHEMBL25139028

C=C(N)Cc1c(C(C)C)cc(COC2CCCC2)cc1C(C)C

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.31
QRFPR Q96P65 1/20 0.30
LNPEP Q9UIQ6 1/20 0.30

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
SCHEMBL25139050 0.85 SCN9A (0.30) GRM5
SCHEMBL20698935 0.83 THRA (0.40) LNPEP
SCHEMBL23319862 0.82 SCN9A (0.38) GRM5LNPEP
SCHEMBL25066945 0.80 GRM5 (0.34) GRM5
SCHEMBL23319823 0.78 CACNA1B (0.35) LNPEP
SCHEMBL10608901 0.74 MEN1 (0.38) GRM5LNPEP
SCHEMBL10612742 0.69 GRM5 (0.35) GRM5LNPEP
SCHEMBL25138856 0.68 HDAC1 (0.35) LNPEP
SCHEMBL14494186 0.68 ALDH1A1 (0.39) GRM5LNPEP
SCHEMBL4965535 0.67 GRM5 (0.43) GRM5

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
EP-3658538-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-04-19 EP disclosed