SCHEMBL9514747

SCHEMBL9514747

CS(=O)(=O)Nc1ccc(CCN2CCN(c3ccncc3)CC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 12/20 0.58
DRD2 P14416 12/20 0.58
LMNA P02545 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
DRD4 P21917 1/20 0.48
SLC6A4 P31645 1/20 0.48
GRIN1 Q05586 1/20 0.46
GRIN2B Q13224 1/20 0.46
HTR2A P28223 2/20 0.46
HTR2C P28335 2/20 0.46
HTR2B P41595 2/20 0.46
HTR1D P28221 1/20 0.45
HTR1B P28222 1/20 0.45
HTR7 P34969 1/20 0.45
DRD3 P35462 1/20 0.45
KCNH2 Q12809 1/20 0.45

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
SCHEMBL10359567 0.91 LMNA (0.55) HTR1ADRD2LMNASMN1; SMN2GRIN1
Hydrochloric Acid SCHEMBL10359568 0.90 LMNA (0.54) HTR1ADRD2LMNASMN1; SMN2GRIN1
Hydrochloric Acid SCHEMBL10560001 0.89 LMNA (0.53) HTR1ADRD2LMNASMN1; SMN2GRIN1
Hydrochloric Acid SCHEMBL10560007 0.89 LMNA (0.53) HTR1ADRD2LMNASMN1; SMN2GRIN1
SCHEMBL9513748 0.88 JAK2 (0.51) HTR1ADRD2LMNASMN1; SMN2GRIN1
SCHEMBL10680323 0.84 JAK2 (0.50) LMNASMN1; SMN2GRIN1GRIN2BKCNH2
SCHEMBL10577329 0.81 KMT2A (0.53) HTR1A
SCHEMBL9224604 0.81 SPHK1 (0.51) HTR1ALMNAKCNH2
SCHEMBL7854117 0.80 LTA4H (0.56) LMNASMN1; SMN2KCNH2
SCHEMBL10562489 0.79 GRIN1 (0.50) HTR1ADRD2LMNASMN1; SMN2GRIN1

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 5 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-0238576-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS. MERCK PATENT GMBH (DE) 1987-09-30 EP disclosed
EP-0233051-A2 Antiarrhythmic Agents Pfizer Limited (GB) 1987-08-19 EP disclosed
WO-1987001701-A2 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1987-03-26 WO disclosed