SCHEMBL25318293

SCHEMBL25318293

CC(C)(C)OC(=O)C(Cc1ccccc1Cl)N=C(c1ccccc1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.61
PPARG P37231 2/20 0.41
PPARA Q07869 2/20 0.41
CNR1 P21554 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ITGA4 P13612 1/20 0.38
ITGB7 P26010 1/20 0.38
NPC1 O15118 2/20 0.36
NR4A2 P43354 2/20 0.36
RAB9A P51151 2/20 0.36
CTBP2 P56545 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.34
SLC7A5 Q01650 1/20 0.34
EPHX2 P34913 1/20 0.34
TACR1 P25103 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
SCHEMBL30949488 0.85 AAK1 (0.61) AAK1PPARGPPARAITGA4ITGB7
SCHEMBL29254128 0.85 AAK1 (0.61) AAK1PPARGPPARAITGA4ITGB7
SCHEMBL16671958 0.85 AAK1 (0.61) AAK1PPARGPPARAITGA4ITGB7
SCHEMBL25319741 0.85 AAK1 (0.65) AAK1PPARGPPARAITGA4ITGB7
SCHEMBL30949484 0.83 AAK1 (0.65) AAK1PPARGPPARAITGA4ITGB7
SCHEMBL3219664 0.83 AAK1 (0.68) AAK1PPARGPPARAITGA4ITGB7
SCHEMBL548007 0.83 AAK1 (0.68) AAK1PPARGPPARAITGA4ITGB7
SCHEMBL548006 0.83 AAK1 (0.68) AAK1PPARGPPARAITGA4ITGB7
SCHEMBL5981707 0.83 AAK1 (0.61) AAK1PPARGPPARACNR1ITGA4
SCHEMBL5981702 0.83 AAK1 (0.61) AAK1PPARGPPARACNR1ITGA4

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-4215525-A1 PIPERAZINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF Zhejiang Hisun Pharmaceutical Co., Ltd. (CN) 2023-07-26 EP disclosed
CN-116348109-A Piperazine derivative, and preparation method and application thereof 浙江海正药业股份有限公司 2023-06-27 CN disclosed