SCHEMBL7304514

SCHEMBL7304514

CN(CCCN1CC=C(c2ccc(C(C)(C)C)cc2)CC1)C(=O)N1CCCC1=O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
MITF O75030 1/20 0.41
PPARG P37231 3/20 0.38
PPARA Q07869 3/20 0.38
DRD2 P14416 1/20 0.37
SIGMAR1 Q99720 7/20 0.37
KDM4E B2RXH2 1/20 0.36
PARP1 P09874 1/20 0.36
HSD11B1 P28845 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL7335481 0.88 SIGMAR1 (0.47) SIGMAR1KDM4EPARP1
SCHEMBL7300628 0.88 MITF (0.39) SMN1; SMN2MITFPPARGPPARADRD2
SCHEMBL7305975 0.74 SIGMAR1 (0.54) SIGMAR1KDM4E
SCHEMBL9735887 0.71 PARP1 (0.45) PPARGPPARADRD2SIGMAR1PARP1
SCHEMBL7333358 0.70 HTR1A (0.48) DRD2SIGMAR1KDM4EPARP1ALDH1A1
SCHEMBL7304603 0.70 SIGMAR1 (0.45) SMN1; SMN2PPARGPPARADRD2SIGMAR1
SCHEMBL7304853 0.69 SIGMAR1 (0.58) SIGMAR1
SCHEMBL9372501 0.68 SIGMAR1 (0.52) DRD2SIGMAR1PARP1
SCHEMBL7299309 0.68 SIGMAR1 (0.49) SMN1; SMN2PPARGPPARASIGMAR1KDM4E
SCHEMBL7335487 0.67 SIGMAR1 (0.47) DRD2SIGMAR1KDM4EPARP1

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
US-5149817-A Psychotropic agents SHIONOGI & CO., LTD. (JP) 1992-09-22 US disclosed
EP-0445701-A1 Novel tetrahydropyridine derivatives SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1991-09-11 EP disclosed