SCHEMBL9690259

SCHEMBL9690259

Cc1cccc2c1N(CCN(C)CC(=O)c1ccc(NS(C)(=O)=O)cc1)C(=O)CC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 3/20 0.41
▸ NR1I2 O75469 1/20 0.41
▸ ADRB2 P07550 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ ADRA2B P18089 1/20 0.41
▸ ADRA2C P18825 1/20 0.41
▸ CHRM3 P20309 1/20 0.41
▸ CNR1 P21554 1/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ HRH1 P35367 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ OPRD1 P41143 1/20 0.41
▸ OPRK1 P41145 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
SCHEMBL9689617 0.85 DRD2 (0.55) KCNH2NR1I2ADRB2ADORA3CHRM1
SCHEMBL9874190 0.84 PRMT5 (0.37) KCNH2PRMT5WDR77CYP3A4CYP2D6
SCHEMBL9689266 0.74 PRMT5 (0.42) KCNH2NR1I2ADRB2ADORA3CHRM1
SCHEMBL9874196 0.74 PRMT5 (0.40) KCNH2ADRB2PRMT5WDR77CYP3A4
SCHEMBL9689604 0.74 KCNH2 (0.40) KCNH2NR1I2ADRB2ADORA3CHRM1
SCHEMBL9689667 0.74 KDM4E (0.45) KCNH2NR1I2ADRB2ADORA3CHRM1
SCHEMBL9689736 0.73 BRPF1 (0.40) KCNH2NR1I2ADRB2ADORA3CHRM1
SCHEMBL9677412 0.72 KCNH2 (0.55) KCNH2PTGS2DRD3CYP3A4CYP2D6
SCHEMBL9689297 0.70 CBX7 (0.51) POLBMAPTMEN1KMT2ATHRB
SCHEMBL9689654 0.69 HTR6 (0.41) ADRB2TDP1KDM4EPOLBMAPT

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
US-5114952-A Side effect reduction PFIZER INC. (US) 1992-05-19 — — US disclosed
US-4863948-A Isoindolinone sulfonamide anti-arrhythmic agents PFIZER, INC. (US) 1989-09-05 — — US disclosed
EP-0242173-A1 Antiarrhythmic agents Pfizer Limited (GB) 1987-10-21 — — EP disclosed
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