SCHEMBL7300904

SCHEMBL7300904

CC(C)(C)c1ccc(C2=CCN(CCCN3CCN(c4ncccn4)CC3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.61
DRD3 P35462 3/20 0.45
DRD2 P14416 2/20 0.45
DRD4 P21917 1/20 0.45
SIGMAR1 Q99720 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
TRPV1 Q8NER1 1/20 0.43

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) HRH3SIGMAR1
SCHEMBL7304853 0.81 SIGMAR1 (0.58) SIGMAR1
SCHEMBL7304603 0.75 SIGMAR1 (0.45) DRD2SIGMAR1
SCHEMBL7306014 0.74 SIGMAR1 (0.58) SIGMAR1MEN1KMT2A
SCHEMBL26108581 0.69 HTR1A (0.65) HRH3DRD3DRD2DRD4SIGMAR1
SCHEMBL26492991 0.69 HTR1A (0.65) HRH3DRD3DRD2DRD4SIGMAR1
SCHEMBL7296057 0.69 SIGMAR1 (0.61) HRH3SIGMAR1
SCHEMBL466989 0.68 SIGMAR1 (0.57) SIGMAR1
SCHEMBL9286378 0.68 LMNA (0.59) HRH3DRD3DRD2
Hydrochloric Acid SCHEMBL26108377 0.67 DRD2 (0.63) DRD3DRD2

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