SCHEMBL28536614

SCHEMBL28536614

O=C(Nc1c(Cl)cnn1-c1ccc(-c2ccc(C3(C(=O)O)CC3)cc2)cc1)OCCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 18/20 0.46
HRH1 P35367 1/20 0.46
LPAR3 Q9UBY5 4/20 0.43
ROCK2 O75116 1/20 0.43
MGLL Q99685 1/20 0.42

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
SCHEMBL28541603 0.90 APP (0.46) LPAR1HRH1LPAR3
SCHEMBL28536659 0.90 LPAR1 (0.41) LPAR1HRH1LPAR3MGLL
SCHEMBL28911001 0.89 LPAR1 (0.49) LPAR1HRH1LPAR3ROCK2MGLL
SCHEMBL28538238 0.88 MGLL (0.42) LPAR1HRH1LPAR3ROCK2MGLL
SCHEMBL28535681 0.87 LPAR1 (0.44) LPAR1HRH1LPAR3ROCK2MGLL
SCHEMBL28536609 0.84 LPAR1 (0.46) LPAR1HRH1LPAR3
SCHEMBL28551532 0.84 LPAR1 (0.39) LPAR1HRH1LPAR3
SCHEMBL28531078 0.82 LPAR1 (0.42) LPAR1HRH1LPAR3
SCHEMBL23235371 0.80 LPAR1 (0.71) LPAR1HRH1LPAR3
SCHEMBL23235372 0.80 LPAR1 (0.71) LPAR1HRH1LPAR3

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
CN-112424174-A Heterocyclic compounds useful for the treatment of diseases 艾匹根生物技术有限公司 2021-02-26 CN disclosed