SCHEMBL19873632

SCHEMBL19873632

C[C@@H](OC(=O)Nc1cc(F)sc1-c1ccc(-c2ccc(C3CC3)cc2)cc1)c1ccccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 15/20 0.44
ENPP2 Q13822 4/20 0.41
LPAR3 Q9UBY5 3/20 0.40
LPAR2 Q9HBW0 1/20 0.39
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 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
SCHEMBL19873633 1.00 LPAR1 (0.44) LPAR1ENPP2LPAR3LPAR2CHRM2
SCHEMBL19873651 0.92 LPAR1 (0.40) LPAR1ENPP2LPAR3CHRM2CHRM1
SCHEMBL19873653 0.92 LPAR1 (0.40) LPAR1ENPP2LPAR3CHRM2CHRM1
SCHEMBL19873628 0.92 LPAR1 (0.42) LPAR1ENPP2LPAR3LPAR2
SCHEMBL19873630 0.92 LPAR1 (0.42) LPAR1ENPP2LPAR3LPAR2
SCHEMBL19873551 0.91 CHRNB2 (0.43) LPAR1ENPP2LPAR3CHRM3
SCHEMBL19873554 0.91 CHRNB2 (0.43) LPAR1ENPP2LPAR3CHRM3
SCHEMBL19873575 0.90 LPAR1 (0.43) LPAR1ENPP2LPAR3CHRM3
SCHEMBL19873578 0.90 LPAR1 (0.43) LPAR1ENPP2LPAR3CHRM3
SCHEMBL19873641 0.90 LPAR1 (0.37) LPAR1ENPP2LPAR3LPAR2CHRM3

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