SCHEMBL3726423

SCHEMBL3726423

COc1ccc(Oc2ccc3nc(CCNC(C)=O)ccc3c2)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 14/20 0.47
MTNR1B P49286 13/20 0.47
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
NQO2 P16083 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PDE10A Q9Y233 1/20 0.43

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
SCHEMBL3728857 0.90 STK39 (0.41) MTNR1AMTNR1BHTR2CHTR2B
SCHEMBL3720296 0.86 SCN9A (0.45) SMN1; SMN2
SCHEMBL3720102 0.82 PDE10A (0.47) PDE10A
SCHEMBL3717395 0.79 HDAC1 (0.42) PDE10A
SCHEMBL3717394 0.79 HDAC8 (0.44)
SCHEMBL3726420 0.77 ACACB (0.47)
SCHEMBL3722351 0.77 SMN1; SMN2 (0.54) MTNR1AMTNR1BSMN1; SMN2
SCHEMBL3720624 0.76 ALDH1A1 (0.49) MTNR1AMTNR1BHTR2CHTR2BSMN1; SMN2
SCHEMBL3724749 0.75 ACACB (0.45) MTNR1AMTNR1BSMN1; SMN2
SCHEMBL3719665 0.74 ACACB (0.54) MTNR1AMTNR1BSMN1; SMN2

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