SCHEMBL8570475

SCHEMBL8570475

CC(OC(=O)c1ccc2cccc(N3CCN(C)CC3)c2c1)c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 11/20 0.47
HTR1D P28221 9/20 0.47
HTR1B P28222 9/20 0.47
HTR2C P28335 2/20 0.45
TSHR P16473 1/20 0.44
SLC6A9 P48067 1/20 0.44
KCNH2 Q12809 1/20 0.44
WDR5 P61964 1/20 0.43
UTS2R Q9UKP6 1/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
MTNR1B P49286 1/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL6306763 0.79 HTR1A (0.57) HTR1AHTR1DHTR1BTSHRWDR5
SCHEMBL6306090 0.79 HTR1A (0.58) HTR1AHTR1DHTR1BHTR2CSLC6A9
SCHEMBL8567402 0.79 HTR1A (0.50) HTR1AHTR1DHTR1BSLC6A9KCNH2
SCHEMBL8572292 0.78 HRH3 (0.50) HTR1AHTR1DHTR1BSLC6A9KCNH2
SCHEMBL7812700 0.75 HTR1A (0.57) HTR1AHTR1DHTR1BTSHRALDH1A1
SCHEMBL6308232 0.75 RAB9A (0.55) HTR1AHTR1DHTR1BLMNAMAPT
SCHEMBL6308076 0.75 KMT2A (0.53) HTR1AHTR1DHTR1BALDH1A1LMNA
SCHEMBL7812213 0.74 KDM4E (0.60) HTR1AHTR1DHTR1BTSHRALDH1A1
Hydrochloric Acid SCHEMBL6306223 0.74 HTR1A (0.56) HTR1AHTR1DHTR1BTSHRALDH1A1
SCHEMBL7809208 0.73 HTR1A (0.53) HTR1AHTR1DHTR1BHTR2CTSHR

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