SCHEMBL5746983

SCHEMBL5746983

c1ccc2c(c1)c1ccccc1n2OCCN1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 8/20 0.47
LTA4H P09960 4/20 0.45
TDP1 Q9NUW8 2/20 0.45
TSHR P16473 1/20 0.44
POLB P06746 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
SCHEMBL5746592 0.98 HTR7 (0.48) HTR7LTA4HTDP1TSHRPOLB
SCHEMBL5747302 0.97 HTR7 (0.43) HTR7LTA4HTDP1TSHRPOLB
SCHEMBL5748846 0.90 HTR7 (0.51) HTR7TDP1
SCHEMBL5745230 0.89 HTR7 (0.52) HTR7TDP1
SCHEMBL5746513 0.87 HTR7 (0.48) HTR7TDP1
SCHEMBL6657644 0.73 MEN1 (0.45) LTA4H
SCHEMBL18028057 0.73 POLB (0.58) HTR7POLBRAD52
SCHEMBL11169002 0.73 POLB (0.60) LTA4HTDP1TSHRPOLB
SCHEMBL7134330 0.72 SRC (0.46) LTA4H
SCHEMBL28824473 0.72 GPR3 (0.43) TDP1TSHRPOLB

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