SCHEMBL6463422

SCHEMBL6463422

NC(=O)CC(CCC(C(=O)c1nc2ccccc2o1)c1ccccc1)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.41
CTSS P25774 7/20 0.40
ALOX5 P09917 1/20 0.39
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 1/20 0.38
GART P22102 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 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
SCHEMBL6463790 0.87 CTSS (0.43) FAAHCTSSALOX5LMNASMN1; SMN2
SCHEMBL6461911 0.86 FAAH (0.42) FAAHCTSSALOX5LMNASMN1; SMN2
SCHEMBL6466913 0.82 FAAH (0.41) FAAHCTSSSMN1; SMN2GARTCYP3A4
SCHEMBL6472186 0.81 KMT2A (0.38) FAAHSMN1; SMN2MEN1KMT2ACYP3A4
SCHEMBL6467113 0.80 DAGLA (0.52) FAAHCTSSLMNASMN1; SMN2TSHR
SCHEMBL6467368 0.80 MAOB (0.49) MEN1KMT2ANPC1RAB9A
SCHEMBL6466063 0.76 KDM4E (0.41) FAAHCTSSHTTMAPTGART
SCHEMBL6061692 0.75 CTSS (0.41) FAAHCTSSLMNASMN1; SMN2HTT
SCHEMBL7045911 0.74 EPHX2 (0.47) FAAHCTSSLMNASMN1; SMN2TSHR
SCHEMBL6062675 0.73 CTSS (0.42) FAAHCTSSLMNASMN1; SMN2HTT

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
EP-1516877-A1 Amine derivatives as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-23 EP disclosed