SCHEMBL27482181

SCHEMBL27482181

CCc1ccc(C(N)COC)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
ATM Q13315 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TAAR1 Q96RJ0 1/20 0.39
TACR1 P25103 3/20 0.38
SCN4A P35499 5/20 0.37
SLC6A4 P31645 1/20 0.37
SLC2A1 P11166 1/20 0.37
CA2 P00918 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TP53 P04637 1/20 0.34
PLAU P00749 1/20 0.34
IDO1 P14902 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
SCHEMBL5450360 1.00 CYP1A2 (0.47) CYP1A2CYP2D6CYP2C19L3MBTL1TSHR
SCHEMBL5469848 0.84 CYP1A2 (0.47) CYP1A2CYP2D6CYP2C19L3MBTL1TACR1
SCHEMBL5460913 0.84 CYP1A2 (0.47) CYP1A2CYP2D6CYP2C19L3MBTL1TACR1
SCHEMBL93693 0.79 CYP1A2 (0.41) CYP1A2CYP2D6CYP2C19TSHRMAPK1
SCHEMBL7619003 0.79 SLC6A4 (0.57) CYP1A2CYP2D6CYP2C19L3MBTL1TSHR
SCHEMBL14169041 0.79 SLC6A4 (0.57) CYP1A2CYP2D6CYP2C19L3MBTL1TSHR
SCHEMBL23774519 0.78 L3MBTL1 (0.45) L3MBTL1TSHRMAPK1ATMTDP1
SCHEMBL4578371 0.78 AOC3 (0.44) CYP1A2CYP2D6CYP2C19SCN4ASLC6A4
SCHEMBL7770297 0.78 CYP1A2 (0.63) CYP1A2CYP2D6CYP2C19L3MBTL1TSHR
SCHEMBL8470594 0.78 ESR1 (0.43) CYP1A2CYP2D6CYP2C19TSHRTDP1

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
CN-1167692-C Aminothiazole derivatives and their use as CRF receptor ligands ʥŵ��-�ϳ�ʵ���ҹ�˾ 2004-09-22 CN disclosed
CN-1370154-A Aminothiazole derivatives and their use as CRF receptor ligands SANOFI SYNTHELABO (FR) 2002-09-18 CN disclosed