SCHEMBL3879190

SCHEMBL3879190

Cc1ccc(N2CCN(C(=O)C(CC(C)C)C(O)C(=O)O)[C@H](C)C2)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 6/20 0.37
AGTR2 P50052 1/20 0.37
SMO Q99835 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
POLB P06746 2/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CHRM4 P08173 3/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
GLA P06280 1/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL2249201 1.00 FAAH (0.37) FAAHAGTR2SMOCTSBCTSS
SCHEMBL2244302 0.91 SMN1; SMN2 (0.41) FAAHSMOSMN1; SMN2CHRM4CHRM2
SCHEMBL2247701 0.89 GAA (0.41) FAAHAGTR2SMOCTSBCTSS
SCHEMBL3867299 0.89 HSD11B1 (0.40) FAAHCTSBCTSSCTSKGAA
SCHEMBL2246944 0.89 MMP2 (0.46) CTSBCTSSCTSKGAASMN1; SMN2
SCHEMBL2250358 0.89 FAAH (0.48) FAAHSMN1; SMN2MAPTALDH1A1
SCHEMBL2244549 0.89 HSD11B1 (0.40) FAAHCTSBCTSSCTSKGAA
SCHEMBL2252429 0.88 CHRM2 (0.47) SMOCHRM4CHRM2CHRM1
SCHEMBL2245185 0.88 CTSB (0.43) FAAHCTSBCTSSCTSK
SCHEMBL2252345 0.88 FAAH (0.42) FAAHSMOCHRM4CHRM2CHRM1

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-1771421-B1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF SERONO LAB (CH) 2009-04-29 EP claimed