SCHEMBL8224642

SCHEMBL8224642

CC(C)(C)OC(=O)N1CCC(C(=O)O)C1c1cc(N)ccc1SC1CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.46
GPR119 Q8TDV5 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 2/20 0.33
PDE4B Q07343 1/20 0.33
EGFR P00533 1/20 0.33
SRC P12931 1/20 0.33
USP30 Q70CQ3 3/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL8217912 0.85 GPR119 (0.40) NR1H2GPR119MEN1KMT2AALDH1A1
SCHEMBL11350163 0.81 NR1H2 (0.46) NR1H2NPC1MEN1KMT2AALDH1A1
SCHEMBL8221410 0.81 NR1H2 (0.43) NR1H2GPR119ALDH1A1
SCHEMBL12220055 0.78 NR1H2 (0.43) NR1H2GPR119NPC1RAB9AALDH1A1
SCHEMBL11348613 0.73 MAPT (0.41) MEN1KMT2AALDH1A1MAPT
SCHEMBL3079561 0.73 MAPT (0.41) MEN1KMT2AALDH1A1MAPT
SCHEMBL3079557 0.73 MAPT (0.41) MEN1KMT2AALDH1A1MAPT
SCHEMBL11349724 0.73 MAPT (0.41) MEN1KMT2AALDH1A1MAPT
SCHEMBL3992059 0.73 MAPT (0.41) MEN1KMT2AALDH1A1MAPT
SCHEMBL4940056 0.73 GPR119 (0.46) NR1H2GPR119MEN1KMT2A

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-2007146719-A2 2-AMINOCARBONYLPHENYLAMINO-2-PHENYLACETAMIDES AS FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-21 WO disclosed