SCHEMBL901149

SCHEMBL901149

O=C(O)CC1CCC(c2ccc(-c3ccc(-c4nc5ccccc5[nH]4)cn3)cc2)CC1

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 20/20 0.77
KCNH2 Q12809 10/20 0.73
ADORA2A P29274 4/20 0.73
SOAT1 P35610 5/20 0.60

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
SCHEMBL10189107 0.87 DGAT1 (0.86) DGAT1KCNH2ADORA2ASOAT1
SCHEMBL902382 0.87 DGAT1 (0.72) DGAT1KCNH2ADORA2ASOAT1
SCHEMBL902755 0.85 DGAT1 (0.70) DGAT1KCNH2ADORA2ASOAT1
SCHEMBL901853 0.85 DGAT1 (0.70) DGAT1KCNH2ADORA2ASOAT1
SCHEMBL902484 0.85 DGAT1 (0.64) DGAT1KCNH2ADORA2ASOAT1
SCHEMBL902152 0.85 DGAT1 (0.67) DGAT1KCNH2ADORA2ASOAT1
SCHEMBL14971875 0.85 DGAT1 (0.83) DGAT1KCNH2ADORA2ASOAT1
SCHEMBL14971911 0.85 DGAT1 (1.00) DGAT1KCNH2ADORA2ASOAT1
SCHEMBL14971866 0.85 DGAT1 (1.00) DGAT1KCNH2ADORA2ASOAT1
SCHEMBL902703 0.85 DGAT1 (1.00) DGAT1KCNH2ADORA2ASOAT1

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-2012044567-A2 IMIDAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2012-04-05 WO disclosed