SCHEMBL26907261

SCHEMBL26907261

Cc1csc2c(N[C@@H](C)CN3CCN(S(=O)(=O)c4ccc(C(=O)O)s4)CC3)ncnc12

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LPAR2 Q9HBW0 20/20 0.72
▸ LPAR1 Q92633 12/20 0.72
▸ LPAR4 Q99677 2/20 0.65
▸ ADRB3 P13945 1/20 0.65
▸ TSPO P30536 1/20 0.65
▸ DRD3 P35462 1/20 0.65
▸ OPRK1 P41145 1/20 0.65
▸ TMEM97 Q5BJF2 1/20 0.65
▸ SIGMAR1 Q99720 1/20 0.65
▸ GPR35 Q9HC97 1/20 0.65
▸ LPAR3 Q9UBY5 1/20 0.65

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
SCHEMBL27115524 1.00 LPAR2 (0.72) LPAR2LPAR1LPAR4ADRB3TSPO
SCHEMBL23519907 0.94 LPAR2 (0.69) LPAR2LPAR1LPAR4ADRB3TSPO
SCHEMBL26907247 0.94 LPAR2 (0.69) LPAR2LPAR1LPAR4ADRB3TSPO
SCHEMBL26907413 0.85 LPAR2 (0.66) LPAR2LPAR1LPAR4ADRB3TSPO
SCHEMBL26907398 0.84 LPAR2 (0.74) LPAR2LPAR1LPAR4ADRB3TSPO
SCHEMBL29936311 0.84 LPAR2 (0.74) LPAR2LPAR1LPAR4ADRB3TSPO
SCHEMBL29935922 0.83 LPAR2 (0.73) LPAR2LPAR1LPAR4ADRB3TSPO
SCHEMBL26907219 0.83 LPAR2 (0.73) LPAR2LPAR1LPAR4ADRB3TSPO
SCHEMBL27115523 0.83 LPAR2 (0.73) LPAR2LPAR1LPAR4ADRB3TSPO
SCHEMBL26907458 0.82 LPAR2 (1.00) LPAR2LPAR1LPAR4ADRB3TSPO

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-4073073-B1 THIENOPYRIMIDINE DERIVATIVES AS LPA RECEPTOR 2 INHIBITORS CHIESI FARM SPA (IT) 2023-12-06 — — EP claimed
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