SCHEMBL9760149

SCHEMBL9760149

CS(=O)(=O)Nc1ccc(OC2CCN(c3ccncc3)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.45
TDO2 P48775 1/20 0.45
JAK2 O60674 3/20 0.44
JAK3 P52333 2/20 0.44
NAMPT P43490 6/20 0.44
ACACB O00763 1/20 0.44
ADRB1 P08588 3/20 0.42
PDE4A P27815 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
HDAC1 Q13547 1/20 0.41
KCNH2 Q12809 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
ADRB2 P07550 2/20 0.40
ADRB3 P13945 2/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL5632556 0.84 ALDH1A1 (0.56) NAMPTMAPTSMN1; SMN2
SCHEMBL5631723 0.83 ACACB (0.45) IDO1TDO2NAMPTACACBHRH3
SCHEMBL9759900 0.82 ADRB1 (0.52) JAK2JAK3ADRB1HRH3HDAC1
SCHEMBL10680323 0.81 JAK2 (0.50) JAK2JAK3ADRB1KCNH2CYP1A2
SCHEMBL9828313 0.81 JAK2 (0.47) JAK2JAK3ADRB1HDAC1CYP1A2
SCHEMBL5632013 0.80 LMNA (0.47) NAMPTPDE4AMAPT
SCHEMBL7379121 0.80 ACACB (0.43) NAMPTACACBHRH3MAPT
SCHEMBL5633968 0.80 NAMPT (0.43) NAMPTACACBHRH3
SCHEMBL5633771 0.80 KMT2A (0.59) MAPTSMN1; SMN2
SCHEMBL5633167 0.80 ALDH1A1 (0.57) NAMPTTSHRMAPT

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-5057528-A AMINO-PYRIDINE COMPOUNDS USEFUL AS ANTI-ARRHYTHMIC AGENTS PFIZER INC. (US) 1991-10-15 US disclosed
US-4968704-A PROLONG DURATION OF ACTION POTENTIAL IN CARDIAC MUSCLE AND CONDUCTING TISSUE PFIZER INC. (US) 1990-11-06 US disclosed
EP-0359389-A1 Antiarrhythmic agents Pfizer Limited (GB) 1990-03-21 EP disclosed