SCHEMBL8567402

SCHEMBL8567402

CN1CCN(c2cccc3ccc(C(=O)OCCc4ccc(Cl)cc4)cc23)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 11/20 0.50
HTR1D P28221 10/20 0.50
HTR1B P28222 10/20 0.50
HRH3 Q9Y5N1 3/20 0.48
DRD3 P35462 1/20 0.47
SLC6A9 P48067 1/20 0.45
KCNH2 Q12809 1/20 0.45
NPBWR1 P48145 1/20 0.44
MCHR1 Q99705 1/20 0.44
OPRL1 P41146 1/20 0.43
MAPT P10636 3/20 0.42
MAPK1 P28482 2/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
THRB P10828 1/20 0.42
CRHBP P24387 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
CRHR2 Q13324 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL8572292 0.94 HRH3 (0.50) HTR1AHTR1DHTR1BHRH3DRD3
SCHEMBL7809208 0.81 HTR1A (0.53) HTR1AHTR1DHTR1BHRH3DRD3
SCHEMBL6308076 0.80 KMT2A (0.53) HTR1AHTR1DHTR1BDRD3NPBWR1
SCHEMBL8570475 0.79 HTR1A (0.47) HTR1AHTR1DHTR1BSLC6A9KCNH2
SCHEMBL6306763 0.79 HTR1A (0.57) HTR1AHTR1DHTR1BMAPTMAPK1
SCHEMBL6306090 0.79 HTR1A (0.58) HTR1AHTR1DHTR1BSLC6A9KCNH2
SCHEMBL7812700 0.75 HTR1A (0.57) HTR1AHTR1DHTR1BMAPTMAPK1
SCHEMBL6308232 0.74 RAB9A (0.55) HTR1AHTR1DHTR1BMAPTMAPK1
SCHEMBL6313105 0.74 HTR1A (0.70) HTR1AHTR1DHTR1BSLC6A9KCNH2
SCHEMBL7838686 0.74 HTR1A (0.55) HTR1AHTR1DHTR1BSLC6A9KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5821245-A Use of naphthalene derivatives in treating lung carcinoma PFIZER INC. (US) 1998-10-13 US disclosed