SCHEMBL7444923

SCHEMBL7444923

Oc1c[c]cc(CCN2CCCC2)c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.46
HRH3 Q9Y5N1 12/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
SIGMAR1 Q99720 2/20 0.44
MBTD1 Q05BQ5 1/20 0.44
L3MBTL3 Q96JM7 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL7967464 0.74 HRH3 (0.65) SLC6A3HRH3L3MBTL1SIGMAR1L3MBTL3
SCHEMBL7443798 0.73 PSMB1 (0.50) HRH3
SCHEMBL7955357 0.72 HRH3 (0.63) SLC6A3HRH3L3MBTL1SIGMAR1L3MBTL3
SCHEMBL13649141 0.72 HRH3 (0.68) SLC6A3HRH3L3MBTL1SIGMAR1MBTD1
SCHEMBL10462575 0.71 CA2 (0.44) TDP1CYP3A4
SCHEMBL14100544 0.71 HRH3 (0.71) SLC6A3HRH3L3MBTL1SIGMAR1MBTD1
SCHEMBL4689587 0.71 HRH3 (0.71) SLC6A3HRH3L3MBTL1SIGMAR1MBTD1
SCHEMBL16957341 0.70 PTGS2 (0.42) SLC6A3CYP3A4
SCHEMBL20747933 0.68 HRH3 (0.62) SLC6A3HRH3L3MBTL1SIGMAR1MBTD1
SCHEMBL2587783 0.68 SLC6A3 (0.64) SLC6A3HRH3L3MBTL1SIGMAR1MBTD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0863755-A4 ANTITHROMBOTIC DIAMINES LILLY CO ELI (US) 1999-01-20 EP disclosed
EP-0863755-A1 ANTITHROMBOTIC DIAMINES ELI LILLY AND COMPANY (US) 1998-09-16 EP disclosed
WO-1997025033-A1 ANTITHROMBOTIC DIAMINES ELI LILLY AND COMPANY (US) 1997-07-17 WO disclosed