SCHEMBL9515031

SCHEMBL9515031

NS(=O)(=O)c1ccc(CCN2CCN(c3ccncc3)CC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.53
DRD2 P14416 3/20 0.53
CA1 P00915 10/20 0.52
CA2 P00918 10/20 0.52
CA9 Q16790 10/20 0.52
CA7 P43166 8/20 0.52
CA12 O43570 3/20 0.52
CA4 P22748 3/20 0.52
CA5A P35218 2/20 0.52
CA13 Q8N1Q1 2/20 0.52
CA14 Q9ULX7 2/20 0.52
DRD4 P21917 1/20 0.51
SLC6A4 P31645 1/20 0.51
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CLEC4M Q9H2X3 1/20 0.48
CD209 Q9NNX6 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48

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
SCHEMBL10680303 0.83 CA2 (0.66) CA1CA2CA9CA7CA12
SCHEMBL7402290 0.82 HTR1A (0.55) HTR1ADRD2DRD4SLC6A4SMN1; SMN2
SCHEMBL9514747 0.79 HTR1A (0.58) HTR1ADRD2DRD4SLC6A4LMNA
SCHEMBL27928479 0.78 HRH3 (0.60) CA1CA2CA9CA7CA12
SCHEMBL7401572 0.78 SMN1; SMN2 (0.60) HTR1ADRD2CA1CA2CA9
SCHEMBL9513747 0.77 KMT2A (0.53) HTR1ACA1CA2CA9CA7
SCHEMBL9513528 0.77 CA1 (0.54) CA1CA2CA9CA7CA12
SCHEMBL9514721 0.75 CA2 (0.61) CA1CA2CA9CA7CA12
SCHEMBL7399968 0.74 HTR1A (0.48) HTR1ADRD2DRD4SLC6A4LMNA
SCHEMBL9516047 0.73 CA1 (0.58) CA1CA2CA9CA7CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0233051-B1 ANTIARRHYTHMIC AGENTS Pfizer Limited (GB) 1993-09-15 EP disclosed
US-4806536-A Piperazinyl-substituted pyridine and imidazole anti-arrhythmic agents PFIZER, INC. (US) 1989-02-21 US disclosed
EP-0233051-A2 Antiarrhythmic Agents Pfizer Limited (GB) 1987-08-19 EP disclosed