SCHEMBL8693003

SCHEMBL8693003

COc1ccc(C#N)c(C)c1-n1c(-c2ccccc2)c(-c2ccccc2)n(Cc2cccc(C(=O)N(C)C)c2)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 1/20 0.39
LMNA P02545 1/20 0.38
MAPK14 Q16539 1/20 0.36
CNR1 P21554 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
PLA2G2A P14555 1/20 0.35
FAAH O00519 1/20 0.34
MGLL Q99685 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
CCR4 P51679 1/20 0.34
ADORA2A P29274 1/20 0.34
PDE5A O76074 1/20 0.34
KLK1 P06870 1/20 0.34
DPP4 P27487 1/20 0.34
ERN1 O75460 1/20 0.34
AR P10275 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 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
SCHEMBL8688119 0.92 MRGPRX4 (0.43) CNR1MRGPRX4PDE4APDE4BPDE4C
SCHEMBL8689074 0.85 LMNA (0.39) RHEBLMNAMAPK14CNR1FAAH
SCHEMBL7354793 0.80 HDAC8 (0.45) RHEBLMNAMAPK14MRGPRX4FAAH
SCHEMBL8440689 0.77 HDAC8 (0.49) RHEBFAAHMGLLHDAC8HDAC6
SCHEMBL8690877 0.76 ADORA2A (0.47) HDAC8HDAC6ADORA2ADPP4AR
SCHEMBL7359931 0.71 MRGPRX4 (0.48) MRGPRX4HDAC8HDAC6PDE4APDE4B
SCHEMBL8439171 0.70 MRGPRX4 (0.49) MRGPRX4HDAC8HDAC6DPP4AR
SCHEMBL8443456 0.68 HDAC8 (0.52) MRGPRX4HDAC8HDAC6DPP4AR
SCHEMBL8438863 0.65 F10 (0.48)
SCHEMBL8439957 0.62 CFTR (0.58) CNR1FAAHHDAC8HDAC6ADORA2A

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-5728697-A INHIBITORS OF FACTOR X BERLEX LABORATORIES, INC. (US) 1998-03-17 US disclosed