SCHEMBL7071589

SCHEMBL7071589

Cc1nc(-c2ccc(CCC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)cc2)no1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.59
HDAC4 P56524 2/20 0.53
GPR4 P46093 1/20 0.51
LMNA P02545 4/20 0.50
HPGD P15428 2/20 0.50
MAPT P10636 6/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
POLB P06746 1/20 0.48
ATM Q13315 1/20 0.47
ALDH1A1 P00352 3/20 0.47
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47
HTT P42858 3/20 0.46
TSHR P16473 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
DGAT1 O75907 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
SCHEMBL7129860 0.85 GPR119 (0.61) GPR119HDAC4LMNAMAPTSMN1; SMN2
SCHEMBL7653912 0.83 HDAC4 (0.74) GPR119HDAC4JAK2JAK1
SCHEMBL4422414 0.82 GPR119 (0.67) GPR119HDAC4LMNAMAPTNPC1
SCHEMBL7071693 0.82 LMNA (0.55) HDAC4GPR4LMNAHPGDMAPT
SCHEMBL7070014 0.79 GPR119 (0.61) GPR119HDAC4LMNAHPGDMAPT
SCHEMBL7649098 0.79 GPR119 (0.54) GPR119HDAC4LMNAMAPTNPC1
SCHEMBL1448104 0.78 GPR119 (0.66) GPR119HDAC4
SCHEMBL7254923 0.78 GPR119 (0.57) GPR119HDAC4
SCHEMBL7677894 0.77 GPR119 (0.58) GPR119HDAC4LMNAMAPTNPC1
SCHEMBL19144654 0.77 L3MBTL1 (0.53) GPR4LMNAMAPTNPC1RAB9A

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