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SCHEMBL6875941

SCHEMBL6875941

COC(=O)[C@H](Cc1ccccc1)NC(=O)N[C@H]1CC[C@@H](Nc2nc3c(c(N(C)C)n2)CCCC3)CC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 3/20 0.47
▸ ATM Q13315 3/20 0.42
▸ MCHR1 Q99705 4/20 0.42
▸ ADRA2A P08913 3/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ TSHR P16473 2/20 0.41
▸ GAA P10253 1/20 0.40

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
SCHEMBL6875937 1.00 NLRP3 (0.47) NLRP3ATMMCHR1ADRA2AL3MBTL1
SCHEMBL6877392 0.94 L3MBTL1 (0.41) NLRP3MCHR1ADRA2AL3MBTL1
SCHEMBL6877397 0.94 L3MBTL1 (0.41) NLRP3MCHR1ADRA2AL3MBTL1
SCHEMBL4030259 0.85 MCHR1 (0.58) ATMMCHR1ADRA2AL3MBTL1
SCHEMBL4030257 0.85 MCHR1 (0.58) ATMMCHR1ADRA2AL3MBTL1
SCHEMBL6878423 0.83 TSHR (0.46) MCHR1ADRA2AL3MBTL1TSHRGAA
SCHEMBL6878428 0.83 TSHR (0.46) MCHR1ADRA2AL3MBTL1TSHRGAA
SCHEMBL6875039 0.82 EPHX1 (0.51) MCHR1ADRA2A
SCHEMBL6875033 0.82 EPHX1 (0.51) MCHR1ADRA2A
SCHEMBL6455682 0.82 MCHR1 (0.44) MCHR1ADRA2A

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-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 — — EP disclosed