SCHEMBL4066271

SCHEMBL4066271

CN1CCN(CCCNC(=O)Oc2cnc3c(c2)ncn3-c2ccc(OCc3ccc(OC(F)(F)F)cc3)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A5 Q9Y345 4/20 0.38
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
FAAH O00519 1/20 0.36
DRD3 P35462 1/20 0.36
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
HPGD P15428 3/20 0.36
PPARD Q03181 2/20 0.36
PPARA Q07869 2/20 0.36
EPHX2 P34913 1/20 0.36
PPARG P37231 1/20 0.36
CCR2 P41597 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
SCHEMBL4069255 0.89 MCHR1 (0.42) SLC6A5ALDH1A1HPGD
SCHEMBL2971081 0.89 SLC6A5 (0.42) SLC6A5ALDH1A1MEN1KMT2ADRD3
SCHEMBL4065692 0.89 KDR (0.43) ALDH1A1HPGD
SCHEMBL4061393 0.87 EPHX2 (0.44) EPHX2
SCHEMBL4064790 0.85 MRGPRX4 (0.39) HPGDPPARDPPARAPPARG
SCHEMBL4068787 0.85 MRGPRX4 (0.40) ALDH1A1HPGDPPARDPPARAPPARG
SCHEMBL4072173 0.85 ATM (0.40) SLC6A5ATMHPGDPPARDPPARA
SCHEMBL4069211 0.83 MRGPRX4 (0.41) HPGDPPARDPPARAPPARG
SCHEMBL1377468 0.81 MEN1 (0.54) SLC6A5ALDH1A1MEN1KMT2AHPGD
SCHEMBL4065690 0.81 BRD4 (0.39) MEN1KMT2AFAAH

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1658289-B1 3-SUBSTITUTED IMIDAZOPYRIDINE-DERIVATIVES AS C-KIT INHIBITORS OSI PHARM INC (US) 2009-03-18 EP claimed