SCHEMBL9579441

SCHEMBL9579441

Clc1cccc(N2CCN(CC3CO3)CC2)c1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.60
HTR2A P28223 1/20 0.58
HTR2C P28335 1/20 0.58
HRH1 P35367 1/20 0.58
DRD2 P14416 2/20 0.57
DRD4 P21917 2/20 0.57
SIGMAR1 Q99720 1/20 0.55

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
SCHEMBL13648729 0.82 DRD2 (0.64) KCNH2HTR2ADRD2DRD4SIGMAR1
SCHEMBL3356592 0.81 DRD4 (0.55) KCNH2DRD2DRD4SIGMAR1
SCHEMBL607491 0.81 DRD2 (0.56) DRD2DRD4
Hydrochloric Acid SCHEMBL10994399 0.81 DRD2 (0.63) KCNH2HTR2ADRD2DRD4SIGMAR1
SCHEMBL27784422 0.80 DRD2 (0.62) KCNH2DRD2DRD4
SCHEMBL6714846 0.79 ALDH1A1 (0.75) KCNH2HTR2AHTR2CSIGMAR1
SCHEMBL11100857 0.79 ALDH1A1 (0.75) KCNH2HTR2AHTR2CSIGMAR1
SCHEMBL9529266 0.78 DRD2 (0.53) KCNH2HTR2AHTR2CHRH1DRD2
SCHEMBL27827185 0.77 KCNH2 (0.65) KCNH2HTR2AHTR2CSIGMAR1
SCHEMBL30767216 0.76 KCNH2 (0.90) KCNH2HTR2ADRD2SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5242919-A Antiinflammatory agents or hypotensive agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-09-07 US disclosed
US-5055474-A Antihypoxia, hypotensive, antiinflammatory agents; anoxia treatment OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-10-08 US disclosed
EP-0173331-B1 2,3-DIHYDRO-1H-INDENE DERIVATIVES, A PROCESS FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-08-14 EP disclosed
US-4895847-A ANTIHYPOXIC, ANTIINFLAMMATORY, HYPOTENSIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-01-23 US disclosed
US-4788130-A ANTIHYDOXIC, HYPOTENSIVE, ANTIINFLAMMATORY AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-11-29 US disclosed
EP-0173331-A2 2,3-Dihydro-1H-indene derivatives, a process for preparing them and pharmaceutical compositions containing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-03-05 EP disclosed