SCHEMBL6996955

SCHEMBL6996955

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
DRD2 P14416 1/20 0.43
ADRA2B P18089 1/20 0.43
DRD1 P21728 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HRH1 P35367 1/20 0.43
ADRA1B P35368 1/20 0.43
OPRK1 P41145 1/20 0.43
HTR2B P41595 1/20 0.43
KCNQ1 P51787 1/20 0.43
KCNH2 Q12809 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA14 Q9ULX7 1/20 0.43
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 2/20 0.41
BCHE P06276 2/20 0.41

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
SCHEMBL6995954 0.83 L3MBTL1 (0.46) L3MBTL1DRD2ADRA2BDRD1HTR2A
SCHEMBL6996959 0.80 L3MBTL1 (0.49) L3MBTL1DRD2ADRA2BDRD1HTR2A
Methanesulfonamide SCHEMBL6999861 0.80 CA2 (0.44) L3MBTL1HTR2CCA12CA1CA2
SCHEMBL6989780 0.75 SLC6A2 (0.46) L3MBTL1HTR2CKCNH2ALDH1A1KDM4E
SCHEMBL6992863 0.74 L3MBTL1 (0.45) L3MBTL1DRD2ADRA2BDRD1HTR2A
Trifluoroacetamide SCHEMBL6993217 0.71 SLC6A2 (0.40) L3MBTL1ALDH1A1KDM4ELMNA
SCHEMBL11099556 0.68 ALDH1A1 (0.45) L3MBTL1CA12CA1CA2CA14
SCHEMBL28554357 0.67 ALDH1A1 (0.49) CA12CA1CA2CA14ALDH1A1
SCHEMBL27741056 0.66 HTR2B (0.69) DRD2ADRA2BDRD1HTR2AHTR2C
SCHEMBL7439813 0.66 KDM4E (0.42) L3MBTL1ALDH1A1KDM4ELMNASMN1; 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 5 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 claimed
EP-1015446-B1 (4-PIPERIDINYL)-1H-2-BENZOPYRAN DERIVATIVES USEFUL AS ANTIPSYCHOTIC AGENTS AVENTIS PHARMA INC (US) 2003-04-02 EP disclosed
EP-1015446-A1 (4-PIPERIDINYL)-1H-2-BENZOPYRAN DERIVATIVES USEFUL AS ANTIPSYCHOTIC AGENTS Aventis Pharmaceuticals Inc. (US) 2000-07-05 EP disclosed
US-6004982-A SIDE EFFECT REDUCTION; SCHIZOPHRENIA HOECHST MARION ROUSSEL, INC. (US) 1999-12-21 US disclosed
WO-1998034933-A1 (4-PIPERIDINYL)-1H-2-BENZOPYRAN DERIVATIVES USEFUL AS ANTIPSYCHOTIC AGENTS HOECHST MARION ROUSSEL, INC. (US) 1998-08-13 WO disclosed