SCHEMBL6992863

SCHEMBL6992863

COc1cccc(CC(O)C2CCN(NC(=O)C(F)(F)F)CC2)c1OC

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 1/20 0.43
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
POLB P06746 1/20 0.42
DRD2 P14416 1/20 0.39
ADRA2B P18089 1/20 0.39
DRD1 P21728 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HRH1 P35367 1/20 0.39
ADRA1B P35368 1/20 0.39
OPRK1 P41145 1/20 0.39
HTR2B P41595 1/20 0.39
KCNQ1 P51787 1/20 0.39
KCNH2 Q12809 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL6996959 0.80 L3MBTL1 (0.49) L3MBTL1LMNAALDH1A1KDM4EPOLB
Trifluoroacetamide SCHEMBL6993217 0.77 SLC6A2 (0.40) L3MBTL1LMNAALDH1A1KDM4E
SCHEMBL6995954 0.77 L3MBTL1 (0.46) L3MBTL1LMNAALDH1A1KDM4EDRD2
SCHEMBL6996955 0.74 L3MBTL1 (0.47) L3MBTL1LMNAALDH1A1KDM4EPOLB
SCHEMBL6989780 0.73 SLC6A2 (0.46) L3MBTL1LMNAALDH1A1KDM4EHTR2C
Methanesulfonamide SCHEMBL6999861 0.69 CA2 (0.44) L3MBTL1LMNAALDH1A1POLBHTR2C
Trifluoroacetamide SCHEMBL6991362 0.65 L3MBTL1 (0.36) L3MBTL1LMNAALDH1A1KDM4EPOLB
SCHEMBL490857 0.65 ALDH1A1 (0.53) ALDH1A1KDM4E
SCHEMBL28554357 0.65 ALDH1A1 (0.49) ALDH1A1KDM4EPOLBSMN1; SMN2TSHR
SCHEMBL6999002 0.65 ALDH1A1 (0.37) L3MBTL1LMNAALDH1A1SMN1; 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 4 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
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