SCHEMBL9760771

SCHEMBL9760771

CNC(=O)Nc1ccc(OCC2CCN(c3ccncc3)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.49
MAPT P10636 5/20 0.48
ALDH1A1 P00352 3/20 0.48
ACACB O00763 2/20 0.48
MAPK1 P28482 2/20 0.46
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
P2RY1 P47900 1/20 0.44
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
MCL1 Q07820 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43

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
SCHEMBL9760074 0.89 DRD2 (0.55) F10MAPTALDH1A1ACACBMAPK1
SCHEMBL7405501 0.81 F10 (0.49) F10MAPTALDH1A1ACACBMAPK1
SCHEMBL9761013 0.80 F10 (0.47) F10ITGB3ITGA2B
SCHEMBL9759900 0.80 ADRB1 (0.52) F10HPGD
SCHEMBL10681020 0.80 TRPV1 (0.57) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL7398480 0.79 ITGB3 (0.53) F10ITGB3ITGA2B
SCHEMBL8637208 0.79 F10 (0.49) F10ACACBITGB3ITGA2B
SCHEMBL7401249 0.77 F10 (0.49) F10ACACB
SCHEMBL5632401 0.76 F10 (0.55) F10
SCHEMBL7398432 0.76 F10 (0.48) F10ITGB3ITGA2B

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