SCHEMBL10147218

SCHEMBL10147218

CC1OC2(CCN(c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)cn3)CC2)c2ccccc21

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 20/20 0.73
KCNH2 Q12809 3/20 0.53
CYP2C9 P11712 1/20 0.51
SOAT1 P35610 1/20 0.51

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
SCHEMBL10147104 0.82 DGAT1 (0.88) DGAT1KCNH2SOAT1
SCHEMBL10146404 0.80 DGAT1 (0.67) DGAT1KCNH2CYP2C9
SCHEMBL10147232 0.78 DGAT1 (0.70) DGAT1KCNH2CYP2C9
SCHEMBL4561861 0.78 DGAT1 (0.65) DGAT1KCNH2CYP2C9SOAT1
SCHEMBL10147264 0.77 DGAT1 (0.60) DGAT1KCNH2CYP2C9
SCHEMBL10147090 0.77 DGAT1 (0.61) DGAT1KCNH2CYP2C9SOAT1
SCHEMBL10146541 0.77 DGAT1 (0.71) DGAT1KCNH2CYP2C9SOAT1
SCHEMBL4560514 0.77 DGAT1 (0.62) DGAT1KCNH2CYP2C9SOAT1
SCHEMBL10146471 0.76 DGAT1 (0.60) DGAT1KCNH2CYP2C9SOAT1
SCHEMBL6995535 0.76 DGAT1 (0.61) DGAT1KCNH2CYP2C9SOAT1

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
WO-2012009217-A1 SPIROCYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2012-01-19 WO disclosed