SCHEMBL7389363

SCHEMBL7389363

Clc1ccc(COCCCCCN2CC[CH]CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 17/20 0.51
▸ SLC6A2 P23975 2/20 0.51
▸ HRH1 P35367 2/20 0.51
▸ CHRM2 P08172 1/20 0.51
▸ ADRA2C P18825 1/20 0.51
▸ SLC6A4 P31645 1/20 0.51
▸ SLC6A3 Q01959 1/20 0.51
▸ KCNH2 Q12809 1/20 0.51
▸ CACNA1C Q13936 1/20 0.51
▸ SCN5A Q14524 1/20 0.51
▸ CHRM4 P08173 1/20 0.50
▸ HTR2C P28335 1/20 0.50
▸ HTR7 P34969 1/20 0.50
▸ TMEM97 Q5BJF2 1/20 0.50
▸ SIGMAR1 Q99720 1/20 0.50
▸ GBA1 P04062 1/20 0.47
▸ UGCG Q16739 1/20 0.47
▸ GBA2 Q9HCG7 1/20 0.47

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
SCHEMBL7388987 0.85 LTA4H (0.56) HRH3SIGMAR1GBA1UGCGGBA2
SCHEMBL7389601 0.85 LTA4H (0.56) HRH3SIGMAR1GBA1UGCGGBA2
SCHEMBL7387110 0.84 LTA4H (0.57) HRH3SIGMAR1GBA1UGCGGBA2
SCHEMBL7384082 0.81 HRH3 (0.75) HRH3
SCHEMBL7395255 0.79 TEAD3 (0.59) HRH3HRH1TMEM97SIGMAR1
SCHEMBL7389094 0.79 HRH3 (0.72) HRH3SIGMAR1
SCHEMBL7391532 0.79 GBA1 (0.54) HRH3SLC6A2SLC6A4SIGMAR1GBA1
SCHEMBL7387064 0.78 KDM4E (0.49) TMEM97SIGMAR1
SCHEMBL31163852 0.77 UGCG (0.68) GBA1UGCGGBA2
SCHEMBL7389893 0.77 ALDH1A1 (0.48) HRH3KCNH2GBA1UGCGGBA2

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-5864039-A THERAPEUTIC TREATMENT OF VARIOUS GASTROINTESTINAL DISEASES, CENTRAL NERVOUS DISORDERS, CARDIOVASCULAR DISORDERS, URINARY DISEASES, UROGENITAL DISORDERS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1999-01-26 — — US disclosed
EP-0873990-A1 BENZOIC ACID COMPOUNDS AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1998-10-28 — — EP disclosed
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