SCHEMBL22014632

SCHEMBL22014632

Cc1cc(C(C)C)c(CC(=O)OC(C)(C)C)c(C(C)C)c1F

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.37
MTNR1B P49286 5/20 0.37
NLRP3 Q96P20 1/20 0.33
GPR119 Q8TDV5 1/20 0.31

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
SCHEMBL19507330 0.88 MTNR1A (0.40) MTNR1AMTNR1BNLRP3GPR119
SCHEMBL30791024 0.83 MTNR1A (0.39) MTNR1AMTNR1BNLRP3
SCHEMBL20698785 0.83 NLRP3 (0.48) MTNR1AMTNR1BNLRP3
SCHEMBL20681593 0.83 MTNR1A (0.39) MTNR1AMTNR1BNLRP3
SCHEMBL19475243 0.80 MTNR1A (0.42) MTNR1AMTNR1BNLRP3
SCHEMBL19507076 0.78 MTNR1A (0.39) MTNR1AMTNR1BGPR119
SCHEMBL19508130 0.77 MTNR1A (0.45) MTNR1AMTNR1BGPR119
SCHEMBL19507073 0.76 MTNR1A (0.35) MTNR1AMTNR1B
SCHEMBL23692192 0.76 CCNB2 (0.34) MTNR1AMTNR1B
SCHEMBL20681241 0.75 MTNR1A (0.37) MTNR1AMTNR1B

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-2020102574-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed