SCHEMBL3720876

SCHEMBL3720876

CCc1cccc(Oc2ccc3cc(CCNC(C)=O)ccc3c2)c1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 9/20 0.53
MTNR1B P49286 6/20 0.53
SMN1; SMN2 Q16637 1/20 0.50
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
PTGS1 P23219 1/20 0.47
BLM P54132 1/20 0.47
HIF1A Q16665 1/20 0.47
HSD17B10 Q99714 1/20 0.47
FDFT1 P37268 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
ACACB O00763 1/20 0.46

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
SCHEMBL24708505 0.87 SMN1; SMN2 (0.61) MTNR1AMTNR1BSMN1; SMN2KDM4EALDH1A1
SCHEMBL3720307 0.87 MTNR1A (0.61) MTNR1AMTNR1BSMN1; SMN2ACACB
SCHEMBL3724114 0.86 SMN1; SMN2 (0.62) MTNR1AMTNR1BSMN1; SMN2KDM4ELMNA
SCHEMBL3719870 0.85 LTA4H (0.53) MTNR1AMTNR1BSMN1; SMN2KDM4EALDH1A1
SCHEMBL3726818 0.82 ACACB (0.64) MTNR1AMTNR1BSMN1; SMN2KDM4EALDH1A1
SCHEMBL3726453 0.82 KDM4E (0.63) MTNR1AMTNR1BSMN1; SMN2KDM4EALDH1A1
SCHEMBL13895358 0.81 KDM4E (0.58) MTNR1AMTNR1BSMN1; SMN2KDM4EALDH1A1
SCHEMBL3717478 0.79 ACACB (0.64) MTNR1AMTNR1BSMN1; SMN2KDM4EALDH1A1
SCHEMBL3720004 0.79 ACACB (0.64) MTNR1AMTNR1BSMN1; SMN2KDM4EALDH1A1
SCHEMBL3719877 0.79 SMN1; SMN2 (0.74) MTNR1AMTNR1BSMN1; SMN2KDM4ELMNA

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