SCHEMBL5749009

SCHEMBL5749009

CCNCCOc1cccc2c1c(=O)c1ccccc1n2C

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 4/20 0.56
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.50
ADRB2 P07550 2/20 0.46
KDM1A O60341 1/20 0.42
KCNA3 P22001 1/20 0.41
ATM Q13315 1/20 0.41
HEXA P06865 1/20 0.41
HEXB P07686 1/20 0.41
HPGD P15428 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
UTS2R Q9UKP6 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTR1D P28221 2/20 0.39
HTR6 P50406 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
SCHEMBL5746733 0.96 HTR1B (0.51) HTR1BMAPTHTTADRB2KDM1A
SCHEMBL5747914 0.89 HTR1B (0.52) HTR1BMAPTHTTKDM1AKCNA3
SCHEMBL5748300 0.88 HTR1B (0.56) HTR1BMAPTHTTADRB2KCNA3
SCHEMBL5748074 0.88 SLC6A4 (0.53) HTR1BMAPTHTTKDM1AKCNA3
SCHEMBL5772233 0.86 KDM1A (0.49) HTR1BMAPTHTTADRB2KDM1A
SCHEMBL5745853 0.85 HTR1B (0.53) HTR1BHTTADRB2KCNA3HEXA
SCHEMBL5770337 0.82 KDM1A (0.48) HTR1BMAPTHTTKDM1AKCNA3
SCHEMBL5745135 0.82 HTT (0.52) HTR1BMAPTHTTKDM1AKCNA3
SCHEMBL5746113 0.81 MAPT (0.49) HTR1BMAPTHTTKDM1AKCNA3
SCHEMBL11384305 0.81 HTR1B (0.52) HTR1BMAPTHTTADRB2KDM1A

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 disclosed
WO-2005077899-A2 AMINO-SUBSTITUTED TRICYCLIC DERIVATIVES AND METHODS OF USE ABBOTT LABORATORIES (US) 2005-08-25 WO disclosed