SCHEMBL6928704

SCHEMBL6928704

OCCNCCOc1cccc2c1c1ccccc1n2Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.54
HTR1B P28222 1/20 0.54
HTR6 P50406 5/20 0.49
CYP19A1 P11511 1/20 0.46
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TSHR P16473 2/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PLA2G2A P14555 4/20 0.44
MCL1 Q07820 1/20 0.43
UTS2R Q9UKP6 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 1/20 0.43
HTR1A P08908 2/20 0.42
ADRA1D P25100 2/20 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
SCHEMBL6925529 0.93 HTR6 (0.47) HTR1DHTR1BHTR6CYP19A1TSHR
SCHEMBL6926040 0.92 HTR6 (0.47) HTR1DHTR1BHTR6CYP19A1PLA2G2A
SCHEMBL6927462 0.91 HTR6 (0.46) HTR1DHTR1BHTR6CYP19A1TSHR
SCHEMBL6921654 0.88 HTR6 (0.49) HTR1BHTR6CYP19A1UTS2RKMT2A
SCHEMBL6925119 0.88 HTR1B (0.54) HTR1BHTR6CYP19A1PLA2G2AMCL1
SCHEMBL6921216 0.87 HTR1B (0.53) HTR1BHTR6CYP19A1PLA2G2AMCL1
SCHEMBL7508285 0.86 HTR6 (0.45) HTR6CYP19A1TDP1PLA2G2AMCL1
SCHEMBL6926844 0.84 KMT2A (0.50) HTR6CYP19A1MCL1UTS2RKMT2A
SCHEMBL6924730 0.84 KMT2A (0.50) HTR6CYP19A1TP53MCL1UTS2R
SCHEMBL6924418 0.84 HTR1B (0.51) HTR1DHTR1BHTR6CYP19A1TSHR

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