SCHEMBL4593696

SCHEMBL4593696

CC(C)(C)C1CC(Oc2cc(N)ncn2)CCN1C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.34
ACACB O00763 1/20 0.32
PIK3CD O00329 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
EGFR P00533 1/20 0.31
ERBB2 P04626 1/20 0.31
BLK P51451 1/20 0.31
JAK3 P52333 1/20 0.31
BTK Q06187 1/20 0.31
SMYD3 Q9H7B4 1/20 0.31
EPHX2 P34913 1/20 0.30
S1PR1 P21453 2/20 0.30

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
SCHEMBL4593318 0.84 LOXL2 (0.30)
SCHEMBL4469103 0.79 HMOX1 (0.36) ACACBHCRTR1EPHX2
SCHEMBL8511076 0.76 DGAT1 (0.45) GPR119HCRTR1HCRTR2
SCHEMBL4616891 0.76 GPR119 (0.31) GPR119
SCHEMBL4587627 0.76 KDR (0.49)
SCHEMBL28053867 0.76 OPRK1 (0.41) EPHX2
SCHEMBL1159689 0.74 GPR119 (0.56) GPR119PIK3CD
SCHEMBL15789122 0.74
SCHEMBL15234095 0.74 GPR119 (0.40) GPR119ACACB
SCHEMBL15234189 0.74 GPR119 (0.40) GPR119ACACB

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-1558609-A4 KINASE INHIBITORS MERCK & CO INC (US) 2008-05-28 EP disclosed
EP-1558609-A2 KINASE INHIBITORS Merck & Co., Inc. (US) 2005-08-03 EP disclosed
WO-2004041164-A2 KINASE INHIBITORS MERCK & CO., INC. (US) 2004-05-21 WO disclosed