SCHEMBL6998050

SCHEMBL6998050

COc1ccc2c(c1OC)CC(C1CCN(C(=O)Cc3ccc(F)cc3)CC1)OC2CNC=O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 4/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 1/20 0.37
ATM Q13315 1/20 0.37
HTT P42858 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
DRD3 P35462 1/20 0.37
CNR1 P21554 1/20 0.36
MLNR O43193 2/20 0.36
CYP3A4 P08684 1/20 0.36
HTR2A P28223 1/20 0.35
GRM2 Q14416 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HSD11B1 P28845 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL6998054 1.00 L3MBTL1 (0.37) L3MBTL1ALDH1A1KMT2AMEN1ATM
SCHEMBL6998063 1.00 L3MBTL1 (0.37) L3MBTL1ALDH1A1KMT2AMEN1ATM
SCHEMBL6999111 0.88 L3MBTL1 (0.40) L3MBTL1ALDH1A1KMT2AMEN1ATM
SCHEMBL6999106 0.88 L3MBTL1 (0.40) L3MBTL1ALDH1A1KMT2AMEN1ATM
SCHEMBL6996305 0.87 DRD1 (0.40) L3MBTL1KMT2ALMNASMN1; SMN2
SCHEMBL6997554 0.87 DRD1 (0.40) L3MBTL1KMT2ALMNASMN1; SMN2
SCHEMBL6996299 0.87 DRD1 (0.40) L3MBTL1KMT2ALMNASMN1; SMN2
SCHEMBL6994077 0.85 DRD1 (0.37) KMT2ASMN1; SMN2
SCHEMBL6994080 0.85 DRD1 (0.37) KMT2ASMN1; SMN2
SCHEMBL6994627 0.82 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1DRD3HTR2A

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