SCHEMBL6927422

SCHEMBL6927422

c1ccc(Cn2c3ccccc3c3c(OCCNC4CC4)cccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HTR6 P50406 4/20 0.43
UTS2R Q9UKP6 1/20 0.43
P2RX4 Q99571 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
MCL1 Q07820 1/20 0.41
PLA2G2A P14555 2/20 0.40
MAOB P27338 4/20 0.38
BCHE P06276 2/20 0.38
ACHE P22303 2/20 0.38
HTR1A P08908 1/20 0.38

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
SCHEMBL6926244 0.96 KDM4E (0.47) CYP19A1ALDH1A1KDM4EHTR6UTS2R
SCHEMBL6924154 0.93 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3MAOBBCHE
SCHEMBL6921596 0.84 HTR1A (0.43) CYP19A1ALDH1A1KDM4EHTR6UTS2R
SCHEMBL6924418 0.83 HTR1B (0.51) CYP19A1HTR6UTS2RP2RX4SLC6A4
SCHEMBL7505923 0.82 ACHE (0.51) BCHEACHEHTR1A
SCHEMBL6927871 0.82 HTR6 (0.54) CYP19A1HTR6UTS2RMCL1PLA2G2A
SCHEMBL6921216 0.81 HTR1B (0.53) CYP19A1HTR6UTS2RP2RX4MCL1
SCHEMBL6925519 0.81 HTR6 (0.51) CYP19A1ALDH1A1HTR6UTS2RP2RX4
SCHEMBL6928704 0.81 HTR1D (0.54) CYP19A1HTR6UTS2RP2RX4MCL1
SCHEMBL6925119 0.81 HTR1B (0.54) CYP19A1HTR6UTS2RP2RX4MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6514968-B1 Treating a disease or condition in a mammal wherein the 5-HT receptor is implicated and modulation of 5-HT function is desired comprising PHARMACIA & UPJOHN COMPANY 2003-02-04 US claimed
EP-1210329-A2 AMINOALKOXY CARBAZOLES AND THEIR USE AS 5-HT LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2002-06-05 EP claimed
WO-2001017963-A2 AMINOALKOXY CARBAZOLES AND THEIR USE AS 5-HT LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2001-03-15 WO claimed
US-6514968-B1 Treating a disease or condition in a mammal wherein the 5-HT receptor is implicated and modulation of 5-HT function is desired comprising PHARMACIA & UPJOHN COMPANY 2003-02-04 US disclosed
EP-1210329-A2 AMINOALKOXY CARBAZOLES AND THEIR USE AS 5-HT LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2002-06-05 EP disclosed
WO-2001017963-A2 AMINOALKOXY CARBAZOLES AND THEIR USE AS 5-HT LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2001-03-15 WO disclosed