SCHEMBL18400787

SCHEMBL18400787

C=C1CC2(CCN1c1ccc(NC(=O)c3nnc(Nc4ccc(F)c(F)c4)o3)cn1)CC(C(=O)OCC)C2

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 20/20 0.64
▸ ACAT1 P24752 2/20 0.64
▸ SOAT1 P35610 5/20 0.50
▸ DGAT2 Q96PD7 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
SCHEMBL18400828 0.90 DGAT1 (0.78) DGAT1ACAT1SOAT1DGAT2
SCHEMBL18400867 0.90 DGAT1 (0.57) DGAT1ACAT1SOAT1DGAT2
SCHEMBL15638674 0.89 DGAT1 (0.81) DGAT1ACAT1SOAT1DGAT2
SCHEMBL15638612 0.85 DGAT1 (0.65) DGAT1ACAT1SOAT1DGAT2
SCHEMBL18400790 0.82 DGAT1 (0.65) DGAT1ACAT1SOAT1DGAT2
SCHEMBL16969275 0.81 DGAT1 (0.64) DGAT1ACAT1SOAT1DGAT2
SCHEMBL16969286 0.81 DGAT1 (0.70) DGAT1ACAT1SOAT1DGAT2
SCHEMBL16969412 0.81 DGAT1 (0.67) DGAT1ACAT1
SCHEMBL16969222 0.80 DGAT1 (0.73) DGAT1ACAT1SOAT1DGAT2
SCHEMBL16969367 0.79 DGAT1 (0.65) DGAT1ACAT1

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
US-9550793-B2 Spirocyclic compounds, compositions and medicinal applications thereof ADVINUS THERAPEUTICS LIMITED (IN) 2017-01-24 — — US disclosed
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