SCHEMBL8902245

SCHEMBL8902245

CN(C)CCCN1CCN(C(C=O)n2c(=O)sc3ccc(Cl)cc32)CC1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TMEM97 Q5BJF2 3/20 0.47
▸ SIGMAR1 Q99720 4/20 0.43
▸ HTR1A P08908 2/20 0.39
▸ HTR7 P34969 2/20 0.39
▸ ACHE P22303 1/20 0.36
▸ DRD2 P14416 1/20 0.35
▸ DRD4 P21917 1/20 0.35

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
SCHEMBL10974768 0.85 TMEM97 (0.47) TMEM97SIGMAR1HTR1AHTR7DRD2
SCHEMBL8894960 0.84 TMEM97 (0.49) TMEM97SIGMAR1HTR1AHTR7DRD2
Hydrochloric Acid SCHEMBL10723941 0.83 TMEM97 (0.39) TMEM97SIGMAR1
SCHEMBL8903400 0.82 SIGMAR1 (0.40) TMEM97SIGMAR1HTR1AHTR7ACHE
SCHEMBL11403161 0.82 TMEM97 (0.45) TMEM97SIGMAR1HTR1AHTR7DRD2
SCHEMBL8909521 0.82 SIGMAR1 (0.32) TMEM97SIGMAR1HTR1AACHE
SCHEMBL10724198 0.79 TMEM97 (0.41) TMEM97SIGMAR1DRD2DRD4
Hydrochloric Acid SCHEMBL10721606 0.78 TMEM97 (0.40) TMEM97SIGMAR1
Hydrochloric Acid SCHEMBL10721852 0.78 TMEM97 (0.38) TMEM97SIGMAR1
SCHEMBL10720127 0.77 TMEM97 (0.40) TMEM97SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997043282-A2 BENZOTHIAZOLINONES AS ANTI-ASTHMATIC AGENTS KLINGE PHARMA GMBH (DE) 1997-11-20 — — WO disclosed
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