SCHEMBL26907413

SCHEMBL26907413

Cc1csc2c(N[C@@H](C)CN3CCN(S(=O)(=O)c4sc(C(=O)O)cc4Br)CC3)ncnc12

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LPAR2 Q9HBW0 20/20 0.66
▸ LPAR1 Q92633 12/20 0.66
▸ LPAR4 Q99677 2/20 0.65
▸ ADRB3 P13945 1/20 0.63
▸ TSPO P30536 1/20 0.63
▸ DRD3 P35462 1/20 0.63
▸ OPRK1 P41145 1/20 0.63
▸ TMEM97 Q5BJF2 1/20 0.63
▸ SIGMAR1 Q99720 1/20 0.63
▸ GPR35 Q9HC97 1/20 0.63
▸ LPAR3 Q9UBY5 1/20 0.63

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
SCHEMBL26907792 0.95 LPAR2 (0.68) LPAR2LPAR1LPAR4ADRB3TSPO
SCHEMBL27128524 0.95 LPAR2 (0.68) LPAR2LPAR1LPAR4ADRB3TSPO
SCHEMBL27115524 0.85 LPAR2 (0.72) LPAR2LPAR1LPAR4ADRB3TSPO
SCHEMBL26907261 0.85 LPAR2 (0.72) LPAR2LPAR1LPAR4ADRB3TSPO
SCHEMBL26907312 0.82 LPAR2 (0.90) LPAR2LPAR1LPAR4ADRB3TSPO
SCHEMBL26907304 0.82 LPAR2 (0.86) LPAR2LPAR1LPAR4ADRB3TSPO
SCHEMBL23519907 0.81 LPAR2 (0.69) LPAR2LPAR1LPAR4ADRB3TSPO
SCHEMBL26907247 0.81 LPAR2 (0.69) LPAR2LPAR1LPAR4ADRB3TSPO
SCHEMBL27115529 0.80 LPAR2 (0.86) LPAR2LPAR1LPAR4ADRB3TSPO
SCHEMBL26907282 0.80 LPAR2 (0.86) 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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