SCHEMBL5745135

SCHEMBL5745135

Cn1c2ccccc2c(=O)c2c(OCCCN)cccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.52
MAPT P10636 1/20 0.52
HTR1B P28222 2/20 0.49
KCNA3 P22001 2/20 0.46
KDM1A O60341 1/20 0.43
ATM Q13315 1/20 0.43
MCL1 Q07820 1/20 0.42
HPGD P15428 2/20 0.41
GLA P06280 1/20 0.41
APEX1 P27695 1/20 0.41
SYK P43405 1/20 0.41
RECQL P46063 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NTRK1 P04629 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
BRD4 O60885 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 2/20 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
SCHEMBL11379644 0.85 HTR1B (0.53) HTTMAPTHTR1BKCNA3KDM1A
SCHEMBL5748074 0.85 SLC6A4 (0.53) HTTMAPTHTR1BKCNA3KDM1A
SCHEMBL5747032 0.84 HTR1B (0.49) HTTMAPTHTR1BKCNA3MCL1
SCHEMBL5746733 0.84 HTR1B (0.51) HTTMAPTHTR1BKCNA3KDM1A
SCHEMBL11384305 0.83 HTR1B (0.52) HTTMAPTHTR1BKCNA3KDM1A
SCHEMBL5747914 0.83 HTR1B (0.52) HTTMAPTHTR1BKCNA3KDM1A
SCHEMBL5745434 0.83 CYP2D6 (0.50) HTTMAPTTDP1MEN1KMT2A
SCHEMBL5749009 0.82 HTR1B (0.56) HTTMAPTHTR1BKCNA3KDM1A
Hydrochloric Acid SCHEMBL11376441 0.82 HTR1B (0.51) HTTMAPTHTR1BKCNA3KDM1A
SCHEMBL5774116 0.82 HRH3 (0.53) MAPTTDP1MEN1KMT2AL3MBTL1

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