SCHEMBL10325481

SCHEMBL10325481

CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccc(-c4nc5cc(C(F)(F)F)ccc5[nH]4)cc3)cn2)CC1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 16/20 0.62
KCNH2 Q12809 7/20 0.62
SOAT1 P35610 3/20 0.62
ADORA2A P29274 2/20 0.53
MGLL Q99685 1/20 0.51
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
PRMT5 O14744 1/20 0.49
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL31605471 0.84 HPGD (0.61) MGLLCYP2C9HPGDSMN1; SMN2
SCHEMBL10326124 0.81 DGAT1 (0.68) DGAT1KCNH2SOAT1ADORA2ACYP3A4
SCHEMBL10380785 0.81 DGAT1 (0.73) DGAT1KCNH2SOAT1ADORA2ACYP3A4
SCHEMBL4566517 0.79 DGAT1 (0.60) DGAT1KCNH2SOAT1ADORA2ACYP3A4
SCHEMBL15230954 0.79 DGAT1 (0.57) DGAT1KCNH2SOAT1ADORA2APRMT5
SCHEMBL17038781 0.78 SMN1; SMN2 (0.74) CYP2C9HPGDSMN1; SMN2
SCHEMBL29564805 0.78 SMN1; SMN2 (0.74) CYP2C9HPGDSMN1; SMN2
SCHEMBL10381569 0.78 DGAT1 (0.62) DGAT1KCNH2SOAT1ADORA2ACYP3A4
SCHEMBL6994210 0.77 DGAT1 (0.54) DGAT1KCNH2SOAT1ADORA2ACYP3A4
SCHEMBL4560514 0.77 DGAT1 (0.62) DGAT1KCNH2SOAT1ADORA2ACYP3A4

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-2012096813-A1 IMIDAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2012-07-19 WO disclosed