SCHEMBL5745370

SCHEMBL5745370

CCN(CC)CCOc1cccc2c1C(=O)c1ccccc1-2

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.52
MAOB P27338 1/20 0.51
MAPT P10636 2/20 0.50
KMT2A Q03164 2/20 0.50
CHRNA7 P36544 1/20 0.50
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
LMNA P02545 1/20 0.49
DRD2 P14416 1/20 0.49
DRD1 P21728 1/20 0.49
DRD3 P35462 1/20 0.49
HTR1D P28221 1/20 0.46
HTR1B P28222 1/20 0.46
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
DNMT1 P26358 1/20 0.44
RAD52 P43351 1/20 0.44

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
SCHEMBL11604524 0.94 KCNA3 (0.59) KCNA3MAOBMAPTKMT2ACHRNA7
Hydrochloric Acid SCHEMBL11604026 0.93 KCNA3 (0.58) KCNA3MAOBMAPTKMT2ACHRNA7
SCHEMBL7791786 0.90 KCNA3 (0.50) KCNA3MAOBMAPTKMT2ACHRNA7
SCHEMBL7106609 0.90 MAOB (0.51) KCNA3MAOBMAPTKMT2ACHRNA7
Hydrochloric Acid SCHEMBL11606378 0.86 KCNA3 (0.60) KCNA3MAOBMAPTKMT2AALDH1A1
SCHEMBL8380843 0.86 TTR (0.49) KCNA3MAOBMAPTKMT2ACHRNA7
SCHEMBL8380922 0.85 EGFR (0.49) KCNA3MAOBMAPTKMT2ACHRNA7
SCHEMBL7792639 0.83 MAPT (0.50) KCNA3MAOBMAPTKMT2ACHRNA7
SCHEMBL7795728 0.83 KCNA3 (0.52) KCNA3MAOBALDH1A1KDM4EHTR1D
SCHEMBL7796277 0.83 MAPT (0.50) KCNA3MAOBMAPTKMT2ACHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1711463-A2 AMINO-SUBSTITUTED TRICYCLIC DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2006-10-18 EP claimed
WO-2005077899-A2 AMINO-SUBSTITUTED TRICYCLIC DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2005-08-25 WO claimed