SCHEMBL7306014

SCHEMBL7306014

CC1CN(CCCN2CC=C(c3ccc(C(C)(C)C)cc3)CC2)CC(C)O1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 12/20 0.58
EBP Q15125 2/20 0.44
KCNA3 P22001 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PARP1 P09874 1/20 0.37

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
SCHEMBL7305975 0.82 SIGMAR1 (0.54) SIGMAR1KCNA3
SCHEMBL7304853 0.81 SIGMAR1 (0.58) SIGMAR1KCNA3
SCHEMBL7304603 0.78 SIGMAR1 (0.45) SIGMAR1KCNA3PARP1
SCHEMBL7300904 0.74 HRH3 (0.61) SIGMAR1MEN1KMT2A
SCHEMBL9632652 0.71 SIGMAR1 (0.65) SIGMAR1EBPKMT2A
SCHEMBL7296057 0.68 SIGMAR1 (0.61) SIGMAR1PARP1
SCHEMBL19000986 0.68 SIGMAR1 (0.60) SIGMAR1EBP
SCHEMBL466989 0.68 SIGMAR1 (0.57) SIGMAR1PARP1
SCHEMBL19001047 0.68 SIGMAR1 (0.60) SIGMAR1EBP
SCHEMBL11099523 0.68 SIGMAR1 (0.68) SIGMAR1EBP

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