SCHEMBL3722807

SCHEMBL3722807

CCCOc1ccc(Oc2ccc3cc(CCNC(C)=O)ccc3n2)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.49
MTNR1B P49286 3/20 0.49
ACACB O00763 8/20 0.47
SCN9A Q15858 1/20 0.43
ALDH1A1 P00352 2/20 0.41
CNR2 P34972 1/20 0.41
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL3719787 0.94 MTNR1A (0.50) MTNR1AMTNR1BACACBSCN9AALDH1A1
SCHEMBL3724136 0.88 ACACB (0.57) MTNR1AMTNR1BACACBSCN9AALDH1A1
SCHEMBL3723076 0.88 MTNR1A (0.50) MTNR1AMTNR1BACACBSCN9AALDH1A1
SCHEMBL3720513 0.87 MTNR1A (0.49) MTNR1AMTNR1BACACBSCN9ASMN1; SMN2
SCHEMBL3806067 0.85 MTNR1A (0.44) MTNR1AMTNR1BACACBSCN9A
SCHEMBL3720900 0.84 MTNR1A (0.51) MTNR1AMTNR1BACACBSCN9AALDH1A1
SCHEMBL3726989 0.84 MTNR1A (0.50) MTNR1AMTNR1BACACBSCN9ASMN1; SMN2
SCHEMBL3720064 0.84 ACACB (0.50) MTNR1AMTNR1BACACB
SCHEMBL3717279 0.83 GLA (0.57) ACACBALDH1A1RAB9ASMN1; SMN2
SCHEMBL3724327 0.83 MTNR1A (0.58) MTNR1AMTNR1BACACBSCN9AALDH1A1

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