SCHEMBL7651001

SCHEMBL7651001

c1ccc2c(CCOC3CCCCO3)c[nH]c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.51
BCHE P06276 4/20 0.50
OPRL1 P41146 1/20 0.50
SLC6A4 P31645 2/20 0.49
HPGD P15428 1/20 0.48
MTNR1A P48039 1/20 0.46
LMNA P02545 3/20 0.46
KMT2A Q03164 3/20 0.46
HTT P42858 2/20 0.46
SSTR2 P30874 1/20 0.45
SSTR4 P31391 1/20 0.45
HTR2A P28223 2/20 0.45
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 1/20 0.45
MAPK1 P28482 1/20 0.45
MPO P05164 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 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
SCHEMBL27516798 0.78 KDM4C (0.60) KDM4CBCHESLC6A4KMT2AMEN1
SCHEMBL10679113 0.78 KDM4C (0.53) KDM4CKMT2AMEN1ALDH1A1POLB
SCHEMBL2664069 0.76 KDM4C (0.52) KDM4CSLC6A4KMT2AMEN1ALDH1A1
SCHEMBL30148867 0.76 KDM4C (0.55) KDM4CSLC6A4KMT2AMEN1
SCHEMBL2649803 0.76 KDM4C (0.52) KDM4CKMT2AMEN1
SCHEMBL7648183 0.76 KDM4C (0.49) KDM4CHPGDLMNAKMT2AHTR2A
SCHEMBL772902 0.75 KDM4C (0.53) KDM4CKMT2AMEN1ALDH1A1CYP2A13
SCHEMBL7690214 0.75 KDM4C (0.53) KDM4CLMNAKMT2AMEN1CYP2A13
SCHEMBL28990029 0.75 HPGD (0.56) SLC6A4HPGDLMNAKMT2AHTT
SCHEMBL6879618 0.74 KDM4C (0.58) KDM4CKMT2AMEN1SMN1; SMN2

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
US-6486153-B1 Phenylindole derivatives as 5-HT2A receptor ligands MERCK SHARP & DOHME LTD. 2002-11-26 US disclosed
WO-1999011619-A1 PHENYLINDOLE DERIVATIVES AS 5-HT2A RECEPTOR LIGANDS MERCK SHARP & DOHME LIMITED (GB) 1999-03-11 WO disclosed