SCHEMBL7074530

SCHEMBL7074530

CCCCS(=O)(=O)N1CCN(c2ccc(-c3noc(C)n3)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.52
DGAT1 O75907 3/20 0.48
LMNA P02545 3/20 0.46
HTT P42858 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MAPT P10636 4/20 0.45
POLB P06746 4/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
KDM4E B2RXH2 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 2/20 0.41
GAA P10253 1/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
P2RX3 P56373 1/20 0.39

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
SCHEMBL3074024 0.80 DGAT1 (0.58) THRBDGAT1LMNANPC1RAB9A
SCHEMBL7077520 0.80 LMNA (0.54) THRBLMNAHTTNPC1RAB9A
SCHEMBL7387750 0.79 GRM2 (0.45) THRBLMNAHTTNPC1RAB9A
SCHEMBL7070226 0.79 THRB (0.54) THRBDGAT1LMNAHTTMAPT
SCHEMBL7074575 0.78 HDAC4 (0.48) THRBDGAT1LMNAHTTNPC1
SCHEMBL7070001 0.76 THRB (0.63) THRBDGAT1LMNAHTTRAB9A
SCHEMBL7075210 0.76 THRB (0.57) THRBDGAT1LMNAHTTMAPT
SCHEMBL4810836 0.74 POLB (0.59) MAPTPOLBKDM4ETP53
SCHEMBL7071891 0.74 THRB (0.63) THRBDGAT1LMNARAB9AMAPT
SCHEMBL7073990 0.74 THRB (0.56) THRBDGAT1LMNAHTTMAPT

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-1025086-B1 BENZAMIDINE DERIVATIVES AS FACTOR XA INHIBITORS MERCK PATENT GMBH (DE) 2003-06-25 EP disclosed
US-6492368-B1 Benzamidine derivatives as factor XA inhibitors MERCK PATENT GMBH (DE) 2002-12-10 US disclosed