SCHEMBL19873640

SCHEMBL19873640

COc1cc(-c2sc(Cl)cc2NC(=O)OC(C)c2cc(F)ccc2F)ccc1-c1ccc(C2CC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 15/20 0.37
LPAR1 Q92633 1/20 0.36
CHRM2 P08172 4/20 0.35
CHRM1 P11229 4/20 0.35
JAK2 O60674 1/20 0.35
GPBAR1 Q8TDU6 1/20 0.35
CTSA P10619 1/20 0.34
APP P05067 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
SCHEMBL19873639 1.00 CHRM3 (0.37) CHRM3LPAR1CHRM2CHRM1JAK2
SCHEMBL19873582 0.94 JAK2 (0.40) CHRM3LPAR1CHRM2CHRM1JAK2
SCHEMBL19873611 0.94 LPAR1 (0.36) CHRM3LPAR1CHRM2CHRM1JAK2
SCHEMBL19873614 0.94 LPAR1 (0.36) CHRM3LPAR1CHRM2CHRM1JAK2
SCHEMBL19873576 0.93 LPAR1 (0.36) CHRM3LPAR1CHRM2CHRM1JAK2
SCHEMBL19873627 0.93 CHRM3 (0.35) CHRM3LPAR1CHRM2CHRM1JAK2
SCHEMBL19873629 0.93 CHRM3 (0.35) CHRM3LPAR1CHRM2CHRM1JAK2
SCHEMBL19873589 0.92 LPAR1 (0.40) CHRM3LPAR1CHRM2CHRM1JAK2
SCHEMBL19873591 0.92 LPAR1 (0.40) CHRM3LPAR1CHRM2CHRM1JAK2
SCHEMBL19873566 0.91 LPAR1 (0.36) CHRM3LPAR1CHRM2CHRM1JAK2

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