SCHEMBL9514727

SCHEMBL9514727

Cc1cc(N2CCN(CC(=O)c3ccc(NS(C)(=O)=O)cc3)CC2)ccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.43
GAA P10253 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ADRB2 P07550 3/20 0.43
ADRB1 P08588 3/20 0.43
ADRB3 P13945 3/20 0.43
GRIN2B Q13224 3/20 0.43
GRIN1 Q05586 2/20 0.43
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
KCNH2 Q12809 2/20 0.41
DRD2 P14416 1/20 0.41
ADRA1A P35348 1/20 0.41
DRD3 P35462 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL9513736 0.86 POLB (0.49) POLBGAATDP1ADRB2ADRB1
SCHEMBL10359739 0.84 POLB (0.57) POLBGAATDP1ADRB2ADRB1
SCHEMBL10576912 0.84 ALDH1A1 (0.43) POLBGAATDP1ADRB2ADRB1
SCHEMBL10683932 0.83 JAK2 (0.50) ADRB2ADRB1ADRB3GRIN2BGRIN1
SCHEMBL9514777 0.80 CA1 (0.46) POLBADRB2ADRB1ADRB3GRIN2B
SCHEMBL10576426 0.80 ADRB2 (0.51) ADRB2ADRB1ADRB3GRIN2BGRIN1
SCHEMBL9515021 0.80 NAMPT (0.51) POLBGAATDP1ADRB1GRIN2B
SCHEMBL7398310 0.78 MEN1 (0.49) POLBALDH1A1SMN1; SMN2KDM4ETSHR
SCHEMBL10577832 0.78 GRIN2B (0.43) POLBGAATDP1ADRB2ADRB1
SCHEMBL8605546 0.78 MEN1 (0.48) POLBALDH1A1SMN1; SMN2KDM4ETSHR

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