SCHEMBL9759732

SCHEMBL9759732

CS(=O)(=O)Nc1ccc(OCC2CCN(c3cc(N)ccn3)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.43
OPRD1 P41143 6/20 0.41
KCNH2 Q12809 6/20 0.41
LTA4H P09960 1/20 0.40
SLC2A1 P11166 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
DGAT1 O75907 1/20 0.38
AR P10275 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BRD4 O60885 1/20 0.38
JAK2 O60674 1/20 0.38
JAK3 P52333 1/20 0.38
FFAR1 O14842 1/20 0.38

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
SCHEMBL9759912 0.84 CYP19A1 (0.49) ADRB1LTA4H
SCHEMBL9759900 0.80 ADRB1 (0.52) ADRB1KCNH2LTA4HNPC1RAB9A
SCHEMBL10683912 0.79 JAK2 (0.47) ADRB1OPRD1KCNH2GRIN1GRIN2B
SCHEMBL10576975 0.73 IGF1R (0.47) ADRB1OPRD1KCNH2GRIN2B
SCHEMBL9514777 0.73 CA1 (0.46) ADRB1OPRD1GRIN2BSMN1; SMN2
SCHEMBL9760464 0.71 TDP1 (0.58) ADRB1KCNH2LTA4HNPC1RAB9A
SCHEMBL9761013 0.69 F10 (0.47) ADRB1
SCHEMBL13669954 0.68 OPRD1 (0.56) OPRD1KCNH2SLC2A1GRIN1GRIN2B
SCHEMBL18278961 0.68 OPRD1 (0.54) OPRD1KCNH2SLC2A1GRIN1GRIN2B
SCHEMBL2146572 0.68 CHRM4 (0.44) OPRD1KCNH2GRIN1GRIN2B

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