SCHEMBL9397221

SCHEMBL9397221

Clc1cccc(CCN2CC[N]CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.56
HRH3 Q9Y5N1 1/20 0.47
SLC6A3 Q01959 1/20 0.47
TAAR1 Q96RJ0 2/20 0.47
LMNA P02545 1/20 0.46
HTR1A P08908 1/20 0.46
SLC6A4 P31645 1/20 0.46
AOC3 Q16853 1/20 0.45
MAOB P27338 1/20 0.45

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
SCHEMBL9398460 0.94 SIGMAR1 (0.58) SIGMAR1HRH3SLC6A3TAAR1LMNA
SCHEMBL2091047 0.83 SIGMAR1 (0.72) SIGMAR1
SCHEMBL28742033 0.82 SIGMAR1 (0.56) SIGMAR1HRH3SLC6A3TAAR1HTR1A
SCHEMBL9397258 0.81 SIGMAR1 (0.65) SIGMAR1HRH3SLC6A3HTR1ASLC6A4
SCHEMBL662989 0.79 SLC6A3 (0.68) SIGMAR1SLC6A3HTR1A
SCHEMBL2098145 0.78 SIGMAR1 (0.64) SIGMAR1
Hydrochloric Acid SCHEMBL1299006 0.77 SIGMAR1 (0.71) SIGMAR1
SCHEMBL7989072 0.77 SIGMAR1 (0.84) SIGMAR1HTR1ASLC6A4
SCHEMBL9398424 0.76 SIGMAR1 (0.68) SIGMAR1HRH3SLC6A3SLC6A4
SCHEMBL13202954 0.75 CARM1 (0.62) SIGMAR1HRH3TAAR1HTR1ASLC6A4

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-5340811-A Bronchodilator agent ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1994-08-23 US disclosed
EP-0471841-A1 SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1992-02-26 EP disclosed