SCHEMBL3798337

SCHEMBL3798337

C[CH]c1ccc2c(c1)CCN(Cc1ccc(OCC3CC3)cc1)C2

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACACB O00763 15/20 0.58
REV1 Q9UBZ9 1/20 0.46
ABCB1 P08183 1/20 0.45
ABCC1 P33527 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.45

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
SCHEMBL3798341 0.85 ACACB (0.61) ACACBREV1
SCHEMBL3721683 0.84 ACACB (0.60) ACACB
SCHEMBL3730360 0.81 ACACB (0.66) ACACB
SCHEMBL3721682 0.81 ACACB (0.66) ACACB
SCHEMBL23774182 0.80 ACACB (0.66) ACACB
SCHEMBL17585131 0.79 ACACB (0.72) ACACB
SCHEMBL23774228 0.77 ACACB (0.67) ACACB
SCHEMBL23774152 0.76 ACACB (0.74) ACACB
SCHEMBL3734290 0.76 ACACB (0.90) ACACB
SCHEMBL17585128 0.75 ACACB (0.73) ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010127212-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO claimed
WO-2010127212-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO disclosed