SCHEMBL6927871

SCHEMBL6927871

c1ccc(Cn2c3ccccc3c3c(OCCNCC4CCCCC4)cccc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 14/20 0.54
BCHE P06276 5/20 0.54
CYP19A1 P11511 1/20 0.40
MCL1 Q07820 1/20 0.40
ESRRA P11474 1/20 0.40
PLA2G2A P14555 2/20 0.39
UTS2R Q9UKP6 1/20 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
SCHEMBL6928704 0.83 HTR1D (0.54) HTR6CYP19A1MCL1PLA2G2AUTS2R
SCHEMBL6926244 0.82 KDM4E (0.47) HTR6CYP19A1MCL1PLA2G2AUTS2R
SCHEMBL6921596 0.82 HTR1A (0.43) HTR6BCHECYP19A1MCL1PLA2G2A
SCHEMBL6927422 0.82 CYP19A1 (0.44) HTR6BCHECYP19A1MCL1PLA2G2A
SCHEMBL6921216 0.82 HTR1B (0.53) HTR6BCHECYP19A1MCL1PLA2G2A
SCHEMBL6925529 0.81 HTR6 (0.47) HTR6CYP19A1MCL1PLA2G2AUTS2R
SCHEMBL6925119 0.81 HTR1B (0.54) HTR6CYP19A1MCL1PLA2G2AUTS2R
SCHEMBL6921654 0.81 HTR6 (0.49) HTR6CYP19A1UTS2R
SCHEMBL6926040 0.80 HTR6 (0.47) HTR6BCHECYP19A1MCL1PLA2G2A
SCHEMBL6927462 0.79 HTR6 (0.46) HTR6CYP19A1MCL1PLA2G2AUTS2R

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 4 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
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