SCHEMBL8575815

SCHEMBL8575815

N#Cc1ccc(-c2ccc(NC(=O)NCCCCl)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.59
MAPT P10636 3/20 0.54
LMNA P02545 2/20 0.54
TSHR P16473 1/20 0.54
HTT P42858 1/20 0.54
NLRP3 Q96P20 1/20 0.54
SAE1 Q9UBE0 1/20 0.52
UBA2 Q9UBT2 1/20 0.52
MMP3 P08254 1/20 0.51
CCR3 P51677 1/20 0.49
KDM4E B2RXH2 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
POLB P06746 1/20 0.49
PKM P14618 1/20 0.49
MAPK1 P28482 1/20 0.49
RAB9A P51151 1/20 0.49
IL18 Q14116 1/20 0.49
ALDH1A1 P00352 1/20 0.47
CA12 O43570 1/20 0.46

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
SCHEMBL10642896 0.96 CNR1 (0.63) CNR1MAPTLMNATSHRHTT
SCHEMBL8573559 0.92 CNR1 (0.61) CNR1MAPTLMNATSHRHTT
SCHEMBL8576539 0.87 CNR1 (0.66) CNR1MAPTLMNATSHRHTT
SCHEMBL11050029 0.85 CNR1 (0.63) CNR1MAPTLMNATSHRHTT
SCHEMBL7400930 0.81 CNR1 (0.59) CNR1MAPTLMNATSHRHTT
SCHEMBL14424467 0.81 HDAC1 (0.60) CNR1MAPTLMNATSHRHTT
SCHEMBL14424473 0.80 EPHX1 (0.64) CNR1MAPTLMNATSHRHTT
SCHEMBL8912081 0.80 CNR1 (0.49) CNR1MAPTLMNATSHRHTT
SCHEMBL8911443 0.79 CNR1 (0.48) CNR1MAPTLMNATSHRHTT
SCHEMBL8911400 0.79 CNR1 (0.48) CNR1MAPTLMNATSHRHTT

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 4 patents. 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
US-5650424-A ANTIAGGLOMERANTS USING IMIDAZOLIDINDIONES DR. KARL THOMAE GMBH (DE) 1997-07-22 US disclosed
US-5478942-A Antiinflammatory agents, antiagglomerants KARL THOMAE GMBH (DE) 1995-12-26 US disclosed
US-5276049-A Treatment of thrombosis DR. KARL THOMAE GMBH (DE) 1994-01-04 US disclosed