SCHEMBL6925529

SCHEMBL6925529

OCCCNCCOc1cccc2c1c1ccccc1n2Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.47
KMT2A Q03164 1/20 0.46
HTR1D P28221 1/20 0.46
HTR1B P28222 1/20 0.46
DRD2 P14416 2/20 0.45
MCL1 Q07820 1/20 0.44
UTS2R Q9UKP6 1/20 0.44
CYP19A1 P11511 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PLA2G2A P14555 1/20 0.42
ADRB2 P07550 1/20 0.42
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41

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
SCHEMBL6927462 0.96 HTR6 (0.46) HTR6KMT2AHTR1DHTR1BDRD2
SCHEMBL6928704 0.93 HTR1D (0.54) HTR6KMT2AHTR1DHTR1BDRD2
SCHEMBL6926040 0.90 HTR6 (0.47) HTR6KMT2AHTR1DHTR1BDRD2
SCHEMBL6925119 0.86 HTR1B (0.54) HTR6KMT2AHTR1BMCL1UTS2R
SCHEMBL6921654 0.86 HTR6 (0.49) HTR6KMT2AHTR1BUTS2RCYP19A1
SCHEMBL6921216 0.85 HTR1B (0.53) HTR6KMT2AHTR1BMCL1UTS2R
SCHEMBL7508285 0.84 HTR6 (0.45) HTR6MCL1UTS2RCYP19A1TDP1
SCHEMBL6924730 0.83 KMT2A (0.50) HTR6KMT2ADRD2MCL1UTS2R
SCHEMBL6926844 0.83 KMT2A (0.50) HTR6KMT2ADRD2MCL1UTS2R
SCHEMBL6924418 0.82 HTR1B (0.51) HTR6HTR1DHTR1BMCL1UTS2R

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