SCHEMBL6995954

SCHEMBL6995954

COc1cccc(CC(O)C2CCN(CC(N)=O)CC2)c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 4/20 0.44
HTR2A P28223 2/20 0.44
DRD2 P14416 1/20 0.44
ADRA2B P18089 1/20 0.44
DRD1 P21728 1/20 0.44
HTR2C P28335 1/20 0.44
HRH1 P35367 1/20 0.44
ADRA1B P35368 1/20 0.44
OPRK1 P41145 1/20 0.44
HTR2B P41595 1/20 0.44
KCNQ1 P51787 1/20 0.44
KCNH2 Q12809 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 1/20 0.42
SLC6A12 P48065 1/20 0.42
MEN1 O00255 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
SCHEMBL6996955 0.83 L3MBTL1 (0.47) L3MBTL1ALDH1A1KDM4EHTR2ADRD2
SCHEMBL8112492 0.79 HTR2B (0.48) HTR2ADRD2ADRA2BDRD1HTR2C
SCHEMBL6996959 0.77 L3MBTL1 (0.49) L3MBTL1ALDH1A1KDM4EHTR2ADRD2
SCHEMBL8112494 0.77 SIGMAR1 (0.49) ALDH1A1KDM4EHTR2ADRD2ADRA2B
SCHEMBL6992863 0.77 L3MBTL1 (0.45) L3MBTL1ALDH1A1KDM4EHTR2ADRD2
Trifluoroacetamide SCHEMBL6993217 0.76 SLC6A2 (0.40) L3MBTL1ALDH1A1KDM4ELMNATACR1
SCHEMBL6989780 0.76 SLC6A2 (0.46) L3MBTL1ALDH1A1KDM4EHTR2CKCNH2
Methanesulfonamide SCHEMBL6999861 0.74 CA2 (0.44) L3MBTL1ALDH1A1HTR2CLMNASMN1; SMN2
SCHEMBL27597066 0.74 CYP2C9 (0.50) MEN1KMT2APTPN11TACR1
SCHEMBL6995950 0.73 SLC6A12 (0.42) ALDH1A1KDM4EHTR2ALMNASMN1; 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
EP-1015446-B1 (4-PIPERIDINYL)-1H-2-BENZOPYRAN DERIVATIVES USEFUL AS ANTIPSYCHOTIC AGENTS AVENTIS PHARMA INC (US) 2003-04-02 EP disclosed
US-6004982-A SIDE EFFECT REDUCTION; SCHIZOPHRENIA HOECHST MARION ROUSSEL, INC. (US) 1999-12-21 US disclosed