SCHEMBL9364406

SCHEMBL9364406

CC[C@H](C)[C@H](NC(C)c1ccc(Cl)cc1)C(=O)NC(=O)Oc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TAAR1 Q96RJ0 1/20 0.39
PRCP P42785 2/20 0.39
CCR1 P32246 2/20 0.39
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CYP1A2 P05177 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL9223979 0.71 MEN1 (0.37) FAAHMEN1KMT2ASMN1; SMN2CYP2C9
SCHEMBL5256444 0.70 SLC1A3 (0.61) FAAHMEN1KMT2ACYP2C9CYP2C19
SCHEMBL8607221 0.70 SLC1A3 (0.61) FAAHMEN1KMT2ACYP2C9CYP2C19
SCHEMBL5256446 0.70 SLC1A3 (0.61) FAAHMEN1KMT2ACYP2C9CYP2C19
SCHEMBL9411069 0.70 KMT2A (0.42) MEN1KMT2ASMN1; SMN2CCR1CYP2C9
SCHEMBL9185963 0.69 MEN1 (0.46) MEN1KMT2ASMN1; SMN2HTT
SCHEMBL4594817 0.69 MEN1 (0.50) MEN1KMT2ASMN1; SMN2
SCHEMBL28968068 0.68 L3MBTL1 (0.49) MEN1KMT2A
SCHEMBL28232199 0.68 CYP1A2 (0.54) FAAHCYP2C9CYP2C19CYP1A2HTT
SCHEMBL8086793 0.68 KMT2A (0.52) MEN1KMT2ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0425925-B1 Substituted amino acid amide derivatives, their preparation and use BAYER AG (DE) 1994-08-03 EP disclosed
EP-0425925-A2 Substituted amino acid amide derivatives, their preparation and use BAYER AG (DE) 1991-05-08 EP disclosed