SCHEMBL9689527

SCHEMBL9689527

CCN(CC)c1ccc(N2CCN(Cc3cc(OC)ccc3O)CC2)nc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
GAA P10253 7/20 0.46
TSHR P16473 3/20 0.46
LMNA P02545 5/20 0.44
KDM4E B2RXH2 5/20 0.44
MAPK1 P28482 1/20 0.44
MAPT P10636 2/20 0.43
HTT P42858 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
PPARA Q07869 1/20 0.42
ALDH1A1 P00352 3/20 0.41
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
DRD4 P21917 2/20 0.40
HRH3 Q9Y5N1 1/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39

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
SCHEMBL9689577 0.87 LMNA (0.43) L3MBTL1GAATSHRLMNAKDM4E
SCHEMBL9701522 0.81 GAA (0.45) L3MBTL1GAATSHRLMNAKDM4E
SCHEMBL9689269 0.75 GAA (0.45) GAATSHRLMNAKDM4EMAPK1
SCHEMBL9689427 0.73 CASP1 (0.65) L3MBTL1GAATSHRLMNAKDM4E
SCHEMBL9690335 0.69 KDM4E (0.48) GAATSHRLMNAKDM4EMAPK1
SCHEMBL29942613 0.68 GAA (0.57) GAATSHRLMNAKDM4EMAPT
SCHEMBL24673156 0.68 GAA (0.56) GAATSHRLMNAKDM4EMAPT
SCHEMBL9703381 0.67 LMNA (0.40) GAATSHRLMNAKDM4EMAPK1
SCHEMBL9073129 0.67 PLD1 (0.45) KDM4EMAPK1MAPTHTTTDP1
SCHEMBL8931727 0.66 SIGMAR1 (0.64) L3MBTL1GAATSHRLMNAKDM4E

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0358676-A1 PHARMACEUTICALLY ACTIVE AMINES THE UPJOHN COMPANY (US) 1990-03-21 EP claimed
EP-0293078-A1 Pharmaceutically active amines THE UPJOHN COMPANY (US) 1988-11-30 EP claimed
WO-1988008424-A1 PHARMACEUTICALLY ACTIVE AMINES THE UPJOHN COMPANY (US) 1988-11-03 WO claimed
US-5120843-A Nervous system disorders UPJOHN (US) 1992-06-09 US disclosed
EP-0487510-A1 Pharmaceutically active amines THE UPJOHN COMPANY (US) 1992-05-27 EP disclosed
EP-0358676-A1 PHARMACEUTICALLY ACTIVE AMINES THE UPJOHN COMPANY (US) 1990-03-21 EP disclosed
WO-1988008424-A1 PHARMACEUTICALLY ACTIVE AMINES THE UPJOHN COMPANY (US) 1988-11-03 WO disclosed