SCHEMBL19873663

SCHEMBL19873663

C[C@@H](OC(=O)Nc1cc(Cl)sc1-c1ccc(-c2ccc(C3CC3)cc2)cc1)c1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.41
LPAR1 Q92633 1/20 0.41
LPAR3 Q9UBY5 1/20 0.41
CCR1 P32246 5/20 0.34
SLC6A3 Q01959 1/20 0.34
FFAR1 O14842 1/20 0.34
UTS2R Q9UKP6 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 1/20 0.34
PRCP P42785 1/20 0.33
IDO1 P14902 1/20 0.33
ENPP2 Q13822 1/20 0.33

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
SCHEMBL19873665 1.00 NAAA (0.41) NAAALPAR1LPAR3CCR1SLC6A3
SCHEMBL19873592 0.92 LPAR1 (0.40) NAAALPAR1LPAR3CCR1
SCHEMBL19873590 0.92 LPAR1 (0.40) NAAALPAR1LPAR3CCR1
SCHEMBL19873602 0.92 LPAR1 (0.49) NAAALPAR1LPAR3
SCHEMBL19873603 0.92 LPAR1 (0.49) NAAALPAR1LPAR3
SCHEMBL19873662 0.91 LPAR1 (0.39) NAAALPAR1LPAR3CCR1PRCP
SCHEMBL19873660 0.91 LPAR1 (0.39) NAAALPAR1LPAR3CCR1PRCP
SCHEMBL19873561 0.91 APP (0.38) NAAALPAR1LPAR3CCR1DRD2
SCHEMBL19873565 0.91 APP (0.38) NAAALPAR1LPAR3CCR1DRD2
SCHEMBL19873621 0.89 TACR1 (0.38) NAAALPAR1LPAR3

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
EP-3360869-B1 HALOGEN-SUBSTITUTED HETEROCYCLIC COMPOUND USEFUL FOR THE TREATMENT OF DISEASES CAUSED BY LPA. UBE INDUSTRIES (JP) 2020-07-29 EP claimed
EP-2940013-B1 HALOGEN-SUBSTITUTED HETEROCYCLIC COMPOUND UBE INDUSTRIES (JP) 2018-02-21 EP claimed