SCHEMBL10359673

SCHEMBL10359673

Nc1ccc(CCN2CCN(c3ccc(N)cc3)CC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.64
DRD2 P14416 1/20 0.64
MAPT P10636 5/20 0.62
ALDH1A1 P00352 3/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
MAPK1 P28482 2/20 0.62
TDP1 Q9NUW8 2/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62
TSHR P16473 1/20 0.62
NFKB1 P19838 1/20 0.62
CYP2C19 P33261 1/20 0.62
THPO P40225 1/20 0.62
MTOR P42345 1/20 0.62
BLM P54132 1/20 0.62
PMP22 Q01453 1/20 0.62
SIGMAR1 Q99720 3/20 0.61
GFER P55789 3/20 0.61
KDM4E B2RXH2 2/20 0.61

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
SCHEMBL10725629 0.92 HTR1A (0.78) HTR1ADRD2MAPTALDH1A1SMN1; SMN2
SCHEMBL10359740 0.84 MAPT (0.60) HTR1ADRD2MAPTALDH1A1SMN1; SMN2
SCHEMBL11794673 0.83 SIGMAR1 (0.74) HTR1ADRD2MAPTSIGMAR1KDM4E
SCHEMBL11563433 0.82 SIGMAR1 (0.79) HTR1ADRD2CYP2D6SIGMAR1
SCHEMBL1509554 0.81 LMNA (0.70) MAPTALDH1A1SMN1; SMN2MAPK1TDP1
SCHEMBL15651612 0.81 MAPT (0.65) HTR1ADRD2MAPTALDH1A1SMN1; SMN2
SCHEMBL6152128 0.81 MAPT (0.65) HTR1ADRD2MAPTALDH1A1SMN1; SMN2
SCHEMBL3440162 0.81 MAPT (0.65) DRD2MAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL1877934 0.81 HRH3 (0.68) ALDH1A1TDP1CYP1A2CYP3A4SIGMAR1
SCHEMBL5651768 0.81 SIGMAR1 (0.64) MAPTALDH1A1SMN1; SMN2MAPK1TDP1

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-0257864-B1 ANTIARRHYTHMIC AGENTS Pfizer Limited (GB) 1990-12-05 EP claimed
EP-0257864-A1 Antiarrhythmic agents Pfizer Limited (GB) 1988-03-02 EP claimed
EP-0257864-B1 ANTIARRHYTHMIC AGENTS Pfizer Limited (GB) 1990-12-05 EP disclosed
US-4797401-A 4-Substituted-1-(4-alkylsulphonamidophenyl)piperazines as antiarrhythmic agents PFIZER INC. (US) 1989-01-10 US disclosed
EP-0257864-A1 Antiarrhythmic agents Pfizer Limited (GB) 1988-03-02 EP disclosed