SCHEMBL9872889

SCHEMBL9872889

CCc1ccc(C(=O)CCN2CC=C(c3cccc(C(F)(F)F)c3)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 15/20 0.59
PPARG P37231 2/20 0.56
PPARA Q07869 2/20 0.56
HTR7 P34969 2/20 0.48
DRD2 P14416 1/20 0.46

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
SCHEMBL9875807 0.90 SIGMAR1 (0.72) SIGMAR1PPARGPPARAHTR7DRD2
SCHEMBL9879636 0.90 SIGMAR1 (0.74) SIGMAR1PPARGPPARAHTR7DRD2
SCHEMBL10974420 0.84 PPARG (0.55) SIGMAR1PPARGPPARAHTR7
Hydrochloric Acid SCHEMBL10734491 0.83 PPARG (0.54) SIGMAR1PPARGPPARAHTR7
SCHEMBL4589950 0.82 PPARG (0.50) SIGMAR1PPARGPPARAHTR7DRD2
Hydrochloric Acid SCHEMBL4589010 0.81 PPARG (0.49) SIGMAR1PPARGPPARAHTR7DRD2
SCHEMBL9879561 0.81 SIGMAR1 (0.70) SIGMAR1PPARGPPARADRD2
SCHEMBL4588594 0.81 PPARG (0.55) SIGMAR1PPARGPPARAHTR7
SCHEMBL11278195 0.81 HTR7 (0.55) SIGMAR1PPARGPPARAHTR7DRD2
SCHEMBL4589148 0.81 SIGMAR1 (0.48) SIGMAR1PPARGPPARAHTR7DRD2

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
WO-1991008200-A1 NOVEL TETRAHYDROPYRIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SUCH COMPOUNDS AS ACTIVE AGENTS Richter Gedeon Vegyészeti Gyár Rt. (HU) 1991-06-13 WO claimed