SCHEMBL7323336

SCHEMBL7323336

CCCCCN1CCC(CCOc2ccc(SCl)c(SCl)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.44
ACHE P22303 1/20 0.43
KCNH2 Q12809 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42

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
Hydrochloric Acid SCHEMBL7322678 0.99 SIGMAR1 (0.44) HRH3ACHEKCNH2SIGMAR1SLC6A2
SCHEMBL7325971 0.84 KDM4E (0.60) HRH3SIGMAR1SLC6A4
Hydrochloric Acid SCHEMBL5881222 0.83 KDM4E (0.59) HRH3SIGMAR1SLC6A4
SCHEMBL7321964 0.82 HRH3 (0.64) HRH3SIGMAR1
Hydrochloric Acid SCHEMBL5082574 0.82 KDM4E (0.58) HRH3SIGMAR1SLC6A4
SCHEMBL7326091 0.81 HRH3 (0.67) HRH3
Hydrochloric Acid SCHEMBL27431543 0.81 SIGMAR1 (0.64) HRH3SIGMAR1
SCHEMBL7324710 0.81 HRH3 (0.51) HRH3KCNH2SIGMAR1
Hydrochloric Acid SCHEMBL9528342 0.81 HRH3 (0.65) HRH3
SCHEMBL7317615 0.80 ALDH1A1 (0.59) HRH3KCNH2SIGMAR1

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
EP-0542846-A1 N-HYDROCARBYL-4-SUBSTITUTED PIPERIDINES, THEIR PREPARATION AND USE AS CALCIUM BLOCKING AGENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-05-26 EP claimed
WO-1992002502-A1 N-HYDROCARBYL-4-SUBSTITUTED PIPERIDINES, THEIR PREPARATION AND USE AS CALCIUM BLOCKING AGENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-02-20 WO claimed