SCHEMBL9344869

SCHEMBL9344869

CC(NS(=O)(=O)c1cccc2cnccc12)N1CCN(CCCOc2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 11/20 0.48
KCNA3 P22001 1/20 0.44
PRKD3 O94806 2/20 0.42
PRKCG P05129 2/20 0.42
PRKCB P05771 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
PRKCA P17252 2/20 0.42
NFKB1 P19838 2/20 0.42
PRKCH P24723 2/20 0.42
PRKCI P41743 2/20 0.42
PRKCE Q02156 2/20 0.42
PRKCQ Q04759 2/20 0.42
PRKCZ Q05513 2/20 0.42
PRKCD Q05655 2/20 0.42
PRKD1 Q15139 2/20 0.42
GLA P06280 1/20 0.42
LMNA P02545 2/20 0.42
PMP22 Q01453 1/20 0.42
HRH2 P25021 1/20 0.41

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
SCHEMBL9345620 0.85 P2RX7 (0.51) P2RX7KCNA3PRKD3PRKCGPRKCB
SCHEMBL9344875 0.84 P2RX7 (0.56) P2RX7KCNA3PRKD3PRKCGPRKCB
SCHEMBL9345720 0.84 HTR1A (0.40) HRH2HRH1HRH3HTR1AHTR7
SCHEMBL9349827 0.84 HTR1A (0.51) HRH1HRH3HTR1AHTR7
Hydrochloric Acid SCHEMBL9345702 0.84 P2RX7 (0.52) P2RX7KCNA3PRKD3PRKCGPRKCB
Hydrochloric Acid SCHEMBL9345669 0.83 ALDH1A1 (0.39) LMNAHRH1HRH3HTR1ASMN1; SMN2
SCHEMBL9345613 0.83 P2RX7 (0.49) P2RX7KCNA3PRKD3PRKCGPRKCB
Hydrochloric Acid SCHEMBL9345690 0.82 P2RX7 (0.50) P2RX7KCNA3PRKD3PRKCGPRKCB
SCHEMBL9477054 0.80 ADRA1A (0.58) P2RX7KCNA3PRKD3PRKCGPRKCB
SCHEMBL9346876 0.79 HRH3 (0.39) LMNAHRH2HRH1HRH3HTR1A

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