SCHEMBL9345562

SCHEMBL9345562

CNCCN1CCN(CCCOc2ccccc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 2/20 0.63
PRMT6 Q96LA8 2/20 0.63
HTR1A P08908 1/20 0.63
DRD2 P14416 1/20 0.63
HTR2A P28223 1/20 0.63
HRH1 P35367 1/20 0.63
DRD3 P35462 1/20 0.63
TMEM97 Q5BJF2 1/20 0.63
SIGMAR1 Q99720 1/20 0.63
HTR1B P28222 2/20 0.62
HTR1D P28221 1/20 0.59
RAB9A P51151 2/20 0.58
NPC1 O15118 1/20 0.58
MAPK1 P28482 1/20 0.58
HRH3 Q9Y5N1 1/20 0.57
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57

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
SCHEMBL7033807 0.87 HTR1A (0.80) HTR1ADRD2HTR2AHRH1DRD3
SCHEMBL19091219 0.83 RAB9A (0.79) HTR1ADRD2HTR2AHRH1DRD3
Hydrochloric Acid SCHEMBL27860615 0.82 HTR1A (0.73) HTR1ADRD2HTR2AHRH1DRD3
SCHEMBL492205 0.80 HRH3 (0.84) HTR1ADRD2HTR2AHRH1DRD3
SCHEMBL9349929 0.79 SIGMAR1 (0.69) HTR1ADRD2HTR2AHRH1DRD3
SCHEMBL9349920 0.79 SIGMAR1 (0.69) HTR1ADRD2HTR2AHRH1DRD3
SCHEMBL22266171 0.79 NPC1 (0.72) RAB9ANPC1ALDH1A1
SCHEMBL2823877 0.78 HRH3 (0.87) HRH1HRH3KDM4EALDH1A1SMN1; SMN2
SCHEMBL4084100 0.78 HRH3 (0.87) HRH1HRH3KDM4EALDH1A1SMN1; SMN2
SCHEMBL19080586 0.78 HTR1A (0.63) HTR1ADRD2HTR2AHRH1DRD3

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-5326870-A Asthma; bronchodilator agents; respiratory system disorders ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1994-07-05 US disclosed
EP-0525203-A1 SUBSTITUTED SULFONAMIDE DERIVATIVE OR PHARMACEUTICAL COMPOSITION CONTAINING THE SAME Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1993-02-03 EP disclosed