SCHEMBL3719224

SCHEMBL3719224

CCOc1c(Cl)cc(Oc2ccc3cc(CCNC(C)=O)ccc3c2)cc1OC(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.46
ACACB O00763 3/20 0.43
MTNR1A P48039 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
LTA4H P09960 1/20 0.38
EPHX2 P34913 1/20 0.38
SCN9A Q15858 1/20 0.38
MTNR1B P49286 1/20 0.37
RAF1 P04049 1/20 0.37
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL3722465 0.92 TRPV1 (0.43) TRPV1ACACBMTNR1ASMN1; SMN2LTA4H
SCHEMBL3802105 0.91 TRPV1 (0.45) TRPV1MTNR1ASMN1; SMN2LTA4HEPHX2
SCHEMBL3720261 0.88 ACACB (0.51) ACACBMTNR1ASMN1; SMN2MTNR1BMAPT
SCHEMBL3720617 0.87 ACACB (0.47) ACACBMTNR1ASMN1; SMN2MTNR1BMAPT
SCHEMBL3717663 0.84 GLA (0.40) SMN1; SMN2
SCHEMBL3721719 0.82 PPARA (0.35) SMN1; SMN2LMNA
SCHEMBL3721086 0.82 HTT (0.39) TRPV1EPHX2SCN9AMAPTLMNA
SCHEMBL3722415 0.80 ACACB (0.51) ACACBMTNR1ASMN1; SMN2MTNR1BMAPT
SCHEMBL3719222 0.80 ACACB (0.47) ACACB
SCHEMBL3720850 0.79 PPARA (0.43) TRPV1ACACBMTNR1ASMN1; SMN2SCN9A

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