SCHEMBL28902832

SCHEMBL28902832

Cc1c(C(=O)Nc2ccc(F)c(C#N)c2)cn(C)c1C(=O)C(=O)NC(C)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC10A1 Q14973 15/20 0.46
GRM4 Q14833 1/20 0.40
FSCN1 Q16658 1/20 0.37
IMPDH2 P12268 1/20 0.35
LRRK2 Q5S007 1/20 0.35

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
SCHEMBL30388015 1.00 SLC10A1 (0.46) SLC10A1GRM4FSCN1IMPDH2LRRK2
SCHEMBL21428047 1.00 SLC10A1 (0.46) SLC10A1GRM4FSCN1IMPDH2LRRK2
SCHEMBL17838271 0.88 SLC10A1 (0.44) SLC10A1GRM4FSCN1
SCHEMBL17838309 0.87 SLC10A1 (0.43) SLC10A1GRM4FSCN1
SCHEMBL16421467 0.87 SLC10A1 (0.47) SLC10A1GRM4FSCN1
SCHEMBL21408378 0.85 GRM4 (0.43) SLC10A1GRM4FSCN1IMPDH2LRRK2
SCHEMBL28898148 0.84 GRM4 (0.39) SLC10A1GRM4FSCN1IMPDH2LRRK2
SCHEMBL21408544 0.84 SLC10A1 (0.49) SLC10A1GRM4LRRK2
SCHEMBL21428046 0.84 SLC10A1 (0.49) SLC10A1GRM4LRRK2
SCHEMBL31659293 0.84 SLC10A1 (0.49) SLC10A1GRM4LRRK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115974753-A N-containing heterocyclic five-membered ring compound and application 正大天晴药业集团股份有限公司 2023-04-18 CN disclosed
CN-111868026-A Capsid protein assembly inhibitor containing N-heterocyclic five-membered ring, pharmaceutical composition and application thereof 正大天晴药业集团股份有限公司 2020-10-30 CN disclosed