SCHEMBL7786149

SCHEMBL7786149

CCOc1cc(OC)c(N)c2c1-c1c(OCCN3CCOCC3)cccc1C2=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.47
HTR2B P41595 2/20 0.47
CYP2D6 P10635 1/20 0.45
TSHR P16473 1/20 0.45
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 4/20 0.43
CHEK1 O14757 2/20 0.43
SYK P43405 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
HTT P42858 2/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
BRCA1 P38398 1/20 0.42
HBB P68871 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
RXFP1 Q9HBX9 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
SCHEMBL7794793 0.97 HTR2C (0.46) HTR2CHTR2BCYP2D6TSHRKDM4E
SCHEMBL7795930 0.95 KDM4E (0.46) HTR2CHTR2BKDM4EALDH1A1HTT
SCHEMBL7794702 0.95 KDM4E (0.46) HTR2CHTR2BKDM4EALDH1A1HTT
SCHEMBL7796105 0.93 HTR2C (0.48) HTR2CHTR2BCYP2D6TSHRKDM4E
SCHEMBL7786497 0.93 KDM4E (0.44) HTR2CHTR2BTSHRKDM4EALDH1A1
SCHEMBL7792051 0.93 KDM4E (0.44) HTR2CHTR2BTSHRKDM4EALDH1A1
SCHEMBL27513181 0.92 HTR2C (0.42) HTR2CHTR2BCYP2D6TSHRKDM4E
SCHEMBL27513180 0.92 HTR2C (0.41) HTR2CHTR2BCYP2D6TSHRKDM4E
SCHEMBL7786092 0.92 HTR2C (0.46) HTR2CHTR2BCYP2D6TSHRKDM4E
SCHEMBL7796495 0.91 POLB (0.48) HTR2CHTR2BALDH1A1

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-0906268-B1 ALKYLOXYAMINO SUBSTITUTED FLUORENONES AND THEIR USE AS PROTEIN KINASE C INHIBITORS AVENTIS PHARMA INC (US) 2001-11-28 EP disclosed
US-6004959-A HYPOTENSIVE, ANTITUMOR, ANTIINFLAMMATORY AND ANTIASTHMATIC AGENTS; ANGIOGENESIS AND ALVEOLAR MACROPHAGE ACTIVATION INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1999-12-21 US disclosed