SCHEMBL6925328

SCHEMBL6925328

c1ccc(Cn2c3ccccc3c3c(OCCN4CCOCC4)cccc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 1/20 0.56
DRD4 P21917 1/20 0.56
DRD5 P21918 1/20 0.56
LTA4H P09960 1/20 0.49
POLB P06746 1/20 0.48
KDM4E B2RXH2 3/20 0.47
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
HTR1A P08908 1/20 0.47
HTR1D P28221 1/20 0.47
HTR1B P28222 1/20 0.47
MAOB P27338 1/20 0.47
TSHR P16473 1/20 0.46
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MAPK14 Q16539 1/20 0.44

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
SCHEMBL6927560 0.90 DRD1 (0.45) DRD1DRD4DRD5KDM4EESR1
SCHEMBL6920002 0.90 HRH1 (0.53) DRD1DRD4DRD5LTA4HESR1
SCHEMBL6926928 0.89 ESR1 (0.54) DRD1DRD4DRD5LTA4HESR1
SCHEMBL6924642 0.88 KMT2A (0.46) DRD1DRD4DRD5POLBKDM4E
SCHEMBL6926761 0.88 HTR1A (0.53) DRD1LTA4HPOLBKDM4EESR1
SCHEMBL6927454 0.87 LTA4H (0.49) DRD1DRD4DRD5LTA4HPOLB
SCHEMBL6920834 0.87 LMNA (0.52) DRD1DRD4DRD5POLBKDM4E
SCHEMBL6926720 0.85 KDM4E (0.45) DRD4LTA4HPOLBKDM4EESR1
SCHEMBL6924579 0.84 ALDH1A1 (0.50) LTA4HPOLBKDM4EHTR1AHTR1D
SCHEMBL6923678 0.82 PLA2G2A (0.50) POLBKDM4EHTR1AHTR1DHTR1B

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