SCHEMBL9670409

SCHEMBL9670409

[CH2]CN1CCN(c2ccc(OC)cc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.68
HSD17B10 Q99714 1/20 0.62
KMT2A Q03164 5/20 0.56
MEN1 O00255 4/20 0.56
HTR3E A5X5Y0 1/20 0.56
HTR3B O95264 1/20 0.56
ADRB1 P08588 1/20 0.56
HTR3A P46098 1/20 0.56
HTR3D Q70Z44 1/20 0.56
HTR3C Q8WXA8 1/20 0.56
SIGMAR1 Q99720 1/20 0.56
ALDH1A1 P00352 3/20 0.55
MAPT P10636 2/20 0.55
KDM4E B2RXH2 1/20 0.55
HTT P42858 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
RAB9A P51151 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
HTR1A P08908 2/20 0.52
IGF1R P08069 1/20 0.52

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
SCHEMBL14739618 0.88 DRD2 (0.76) DRD2HSD17B10KMT2AMEN1HTR3E
SCHEMBL29656856 0.84 HTR3E (0.73) DRD2HSD17B10KMT2AMEN1HTR3E
SCHEMBL28599511 0.84 HTR3E (0.73) DRD2HSD17B10KMT2AMEN1HTR3E
SCHEMBL8353109 0.84 DRD2 (0.75) DRD2HSD17B10KMT2AMEN1HTR3E
SCHEMBL9668818 0.83 MAPT (0.53) DRD2HSD17B10KMT2AMEN1ALDH1A1
SCHEMBL23572815 0.82 DRD2 (0.48) DRD2HSD17B10KMT2AMEN1SIGMAR1
SCHEMBL21361433 0.82 DRD2 (0.68) DRD2HSD17B10KMT2AMEN1HTR3E
SCHEMBL12789832 0.82 DRD2 (0.68) DRD2HSD17B10KMT2AMEN1HTR3E
SCHEMBL9449554 0.81 KCNH2 (0.70) DRD2KMT2AMEN1ADRB1ALDH1A1
SCHEMBL5915124 0.81 DRD2 (1.00) DRD2HSD17B10KMT2AMEN1HTR3E

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0254322-B1 BENZIMIDAZOLE DERIVATIVES NISSHIN FLOUR MILLING CO., LTD. (JP) 1992-09-23 EP claimed
US-4886803-A CARDIOTONIC AGENTS NISSHIN FLOUR MILLING CO., LTD. (JP) 1989-12-12 US claimed
EP-0254322-A1 Benzimidazole derivatives NISSHIN FLOUR MILLING CO., LTD. (JP) 1988-01-27 EP claimed
EP-0254322-B1 BENZIMIDAZOLE DERIVATIVES NISSHIN FLOUR MILLING CO., LTD. (JP) 1992-09-23 EP disclosed
US-4886803-A CARDIOTONIC AGENTS NISSHIN FLOUR MILLING CO., LTD. (JP) 1989-12-12 US disclosed
EP-0254322-A1 Benzimidazole derivatives NISSHIN FLOUR MILLING CO., LTD. (JP) 1988-01-27 EP disclosed
EP-0186977-A2 Renin-inhibitory dipeptides, their preparation and use SANKYO COMPANY LIMITED (JP) 1986-07-09 EP disclosed
US-4199519-A TREATMENT OF PEPTIC ULCERS SANKYO COMPANY LIMITED (JP) 1980-04-22 US disclosed
US-4151357-A FOR PEPTIC ULCERS SANKYO COMPANY LIMITED (JP) 1979-04-24 US disclosed