SCHEMBL7838686

SCHEMBL7838686

CN1CCN(c2cccc3ccc(OC(=O)NCc4ccc(Cl)cc4)cc23)CC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 11/20 0.55
HTR1D P28221 9/20 0.55
HTR1B P28222 9/20 0.55
SLC6A9 P48067 1/20 0.51
KCNH2 Q12809 1/20 0.51
FAAH O00519 2/20 0.48
NPC1 O15118 1/20 0.46
NPBWR1 P48145 1/20 0.45
MCHR1 Q99705 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL6308076 0.83 KMT2A (0.53) HTR1AHTR1DHTR1BNPBWR1MCHR1
SCHEMBL7850568 0.83 FAAH (0.46) FAAHNPC1
SCHEMBL6306090 0.82 HTR1A (0.58) HTR1AHTR1DHTR1BSLC6A9KCNH2
SCHEMBL6313105 0.79 HTR1A (0.70) HTR1AHTR1DHTR1BSLC6A9KCNH2
SCHEMBL7951589 0.74 KMT2A (0.51) HTR1ANPC1NPBWR1MCHR1MAPT
SCHEMBL6307506 0.74 HTR1A (0.61) HTR1AHTR1DHTR1BKDM4EALDH1A1
SCHEMBL8567402 0.74 HTR1A (0.50) HTR1AHTR1DHTR1BSLC6A9KCNH2
SCHEMBL7943338 0.73 RXFP1 (0.59) NPC1NPBWR1MCHR1KDM4EALDH1A1
SCHEMBL7591765 0.73 NPC1 (0.48) HTR1ANPC1NPBWR1MCHR1KDM4E
SCHEMBL7586158 0.73 NPC1 (0.46) HTR1ANPC1NPBWR1MCHR1KDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0689536-B1 NAPHTHALENE DERIVATIVES PFIZER (US) 2001-05-23 EP claimed
EP-0701819-B1 Novel compositions containing sertraline and a 5-HT1D receptor agonist or antagonist PFIZER (US) 2000-08-16 EP claimed