SCHEMBL8577361

SCHEMBL8577361

COC(=O)Cc1ccc(N2C(=O)NCC2c2ccccc2CCN)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
CTSG P08311 1/20 0.37
CMA1 P23946 1/20 0.37
TSHR P16473 2/20 0.35
LMNA P02545 4/20 0.35
PKM P14618 1/20 0.35
RAB9A P51151 1/20 0.35
CACNA1G O43497 2/20 0.35
ALDH1A1 P00352 3/20 0.34
MAPT P10636 2/20 0.34
FAAH O00519 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
MAPK1 P28482 1/20 0.34
HPGD P15428 1/20 0.33
GCK P35557 1/20 0.33
KCNH2 Q12809 1/20 0.33
GAA P10253 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
SCHEMBL8572785 0.87 NSD2 (0.37) TSHRLMNARAB9ASMN1; SMN2GAA
SCHEMBL8577364 0.84 CYP4F2 (0.42) CYP4F2CYP4A11CTSGCMA1LMNA
Hydrochloric Acid SCHEMBL8571560 0.77 ALDH1A1 (0.33) ALDH1A1
SCHEMBL8575545 0.77 P2RX3 (0.34) CYP4F2CYP4A11TSHRLMNARAB9A
SCHEMBL8574007 0.76 ITGB3 (0.39)
SCHEMBL8575777 0.73 QPCT (0.43) ALDH1A1MAPTFAAHKCNH2
Hydrochloric Acid SCHEMBL8577444 0.73 SIRT2 (0.36) GCK
SCHEMBL8575282 0.68 TDP1 (0.36) CYP4F2CYP4A11TSHRALDH1A1SMN1; SMN2
SCHEMBL8577440 0.67 HRH3 (0.35) GCKKCNH2
SCHEMBL8735781 0.67 CYP4F2 (0.70) CYP4F2CYP4A11TSHRLMNARAB9A

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
US-5852192-A Cyclic urea derivatives, pharmaceutical compositions containing these compounds and processes for preparing them DR. KARL THOMAE GMBH (DE) 1998-12-22 US disclosed