SCHEMBL9009913

SCHEMBL9009913

CC(=O)OC1(NC(=O)Nc2ccccc2)CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.45
KMT2A Q03164 3/20 0.45
NPC1 O15118 2/20 0.45
TAAR1 Q96RJ0 2/20 0.45
FAAH O00519 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
EPHX2 P34913 3/20 0.44
EPHX1 P07099 2/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
CDK9 P50750 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
POLB P06746 3/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
CASP3 P42574 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
USP2 O75604 1/20 0.43
MAPT P10636 2/20 0.43

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
SCHEMBL9009877 0.86 ALDH1A1 (0.51) RAB9AKMT2ANPC1FAAHSMN1; SMN2
SCHEMBL5585773 0.79 CTSK (0.48) RAB9AKMT2ANPC1FAAHSMN1; SMN2
SCHEMBL29116605 0.77 SMN1; SMN2 (0.52) RAB9AKMT2ANPC1TAAR1FAAH
SCHEMBL3645705 0.75 ALDH1A1 (0.44) RAB9AKMT2ANPC1FAAHTSHR
SCHEMBL9009859 0.72 HTT (0.37) KMT2ASMN1; SMN2POLBALDH1A1MAPT
SCHEMBL1757010 0.71 EPHX1 (0.49) RAB9AKMT2ANPC1FAAHSMN1; SMN2
SCHEMBL11738687 0.69 SMN1; SMN2 (0.42) RAB9AKMT2ANPC1TAAR1FAAH
SCHEMBL11738682 0.69 SMN1; SMN2 (0.42) RAB9AKMT2ANPC1TAAR1FAAH
SCHEMBL28920263 0.68 FAAH (0.50) RAB9AKMT2AFAAHSMN1; SMN2TSHR
SCHEMBL29291801 0.68 SMN1; SMN2 (0.61) RAB9AKMT2ANPC1TAAR1SMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0471280-B1 Trans-2-acylaminocyclohexyloxyacyldipeptides UNIV LJUBLJANI (YU) 1996-11-06 EP disclosed
US-5231216-A Trans-2-acylaminocyclohexyloxyacyldipeptides in the form of mixtures of diastereoisomers thereof and in the form of pure diasteredisomers, process for the preparation thereof and pharmaceutical compositions containing the same UNIVERZA EDVARDA KARDELJA V LJUBLJANA (YU) 1993-07-27 US disclosed
EP-0471280-A2 Trans-2-acylaminocyclohexyloxyacyldipeptides UNIVERZA EDVARDA KARDELJA V LJUBLJANI, VDO FAKULTETA ZA NARAVOSLOVJE IN TEHNOLOGIJO, N.SOL.O., LUBLJANA (YU) 1992-02-19 EP disclosed