SCHEMBL3720064

SCHEMBL3720064

CC(=O)NCCc1ccc2nc(Oc3ccc(OCC(C)C)cc3Cl)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACACB O00763 16/20 0.50
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 1/20 0.40
ACACA Q13085 1/20 0.40

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
SCHEMBL3726989 0.90 MTNR1A (0.50) ACACBMTNR1AMTNR1BACACA
SCHEMBL3723076 0.90 MTNR1A (0.50) ACACBMTNR1AMTNR1B
SCHEMBL3726202 0.88 ACACB (0.58) ACACBMTNR1AMTNR1B
SCHEMBL3722610 0.86 ACACB (0.51) ACACBMTNR1AMTNR1BCYP3A4CYP2C9
SCHEMBL3720513 0.85 MTNR1A (0.49) ACACBMTNR1AMTNR1BACACA
SCHEMBL3719787 0.84 MTNR1A (0.50) ACACBMTNR1AMTNR1B
SCHEMBL3725388 0.84 GLA (0.44) ACACBCYP3A4
SCHEMBL3722807 0.84 MTNR1A (0.49) ACACBMTNR1AMTNR1B
SCHEMBL3724124 0.84 MTNR1A (0.49) ACACBMTNR1AMTNR1B
SCHEMBL3721012 0.82 PDE4B (0.45) ACACBCYP3A4CYP2C9ACACA

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-2010127208-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO claimed
WO-2010127208-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO disclosed