SCHEMBL9397288

SCHEMBL9397288

COc1ccc(CCN2CC[N]CC2)cc1OC

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.63
EBP Q15125 2/20 0.63
TMEM97 Q5BJF2 1/20 0.63
ADRA1D P25100 2/20 0.55
ADRA1A P35348 2/20 0.55
ADRA1B P35368 2/20 0.55
EBPL Q9BY08 1/20 0.54
DHCR7 Q9UBM7 1/20 0.53
HSP90AA1 P07900 1/20 0.52
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51

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
SCHEMBL9397184 0.94 SIGMAR1 (0.57) SIGMAR1EBPTMEM97ADRA1DADRA1A
SCHEMBL9432931 0.89 EBP (0.61) SIGMAR1EBPTMEM97EBPL
SCHEMBL2092284 0.84 KMT2A (0.54) SIGMAR1
SCHEMBL8310274 0.83 KDM4E (0.49) SIGMAR1EBPTMEM97
SCHEMBL27337543 0.83 SIGMAR1 (0.64) SIGMAR1EBPTMEM97ADRA1DADRA1A
SCHEMBL8075010 0.82 SIGMAR1 (0.89) SIGMAR1EBPTMEM97EBPL
SCHEMBL6625725 0.82 SIGMAR1 (0.63) SIGMAR1EBPTMEM97ADRA1DADRA1A
Hydrochloric Acid SCHEMBL8088180 0.81 SIGMAR1 (0.87) SIGMAR1EBPTMEM97EBPL
Hydrochloric Acid SCHEMBL1332052 0.81 SIGMAR1 (0.61) SIGMAR1EBPTMEM97ADRA1DADRA1A
SCHEMBL9028169 0.81 SIGMAR1 (0.61) SIGMAR1EBPTMEM97ADRA1DADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5358949-A Carbostyril derivatives and salts thereof and anti-arrhythmic agents containing the carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-25 US disclosed
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
EP-0236140-A2 Carbostyril derivatives and salts thereof and anti-arrhythmic agents containing the carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-09-09 EP disclosed