SCHEMBL6920834

SCHEMBL6920834

OCCN1CCN(CCOc2cccc3c2c2ccccc2n3Cc2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
HTT P42858 1/20 0.52
HTR1A P08908 2/20 0.49
HTR1D P28221 2/20 0.49
HTR1B P28222 2/20 0.49
ALDH1A1 P00352 5/20 0.47
POLB P06746 3/20 0.47
KDM4E B2RXH2 3/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
USP2 O75604 1/20 0.47
HTR6 P50406 1/20 0.46
RAB9A P51151 1/20 0.44
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CYP19A1 P11511 1/20 0.43
ESR1 P03372 1/20 0.43
CYP2D6 P10635 1/20 0.43
MCL1 Q07820 1/20 0.42
TDP1 Q9NUW8 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
SCHEMBL6926761 0.90 HTR1A (0.53) HTR1AHTR1DHTR1BALDH1A1POLB
SCHEMBL6920002 0.90 HRH1 (0.53) HTR1AHTR1DHTR1BTSHRCYP19A1
SCHEMBL6926928 0.89 ESR1 (0.54) HTR1AHTR1DHTR1BHTR6TSHR
SCHEMBL6924579 0.88 ALDH1A1 (0.50) LMNAHTR1AHTR1DHTR1BALDH1A1
SCHEMBL6926720 0.87 KDM4E (0.45) HTR1AHTR1DHTR1BALDH1A1POLB
SCHEMBL6927454 0.87 LTA4H (0.49) HTR1AHTR1DHTR1BALDH1A1POLB
SCHEMBL6925328 0.87 DRD1 (0.56) HTR1AHTR1DHTR1BPOLBKDM4E
SCHEMBL6923678 0.86 PLA2G2A (0.50) HTR1AHTR1DHTR1BALDH1A1POLB
SCHEMBL6923676 0.83 HTR1A (0.45) HTR1AHTR1DHTR1BALDH1A1POLB
SCHEMBL7505923 0.81 ACHE (0.51) HTR1AHTR1DHTR1BPOLBKMT2A

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