SCHEMBL5729540

SCHEMBL5729540

NN1CCN(C(=O)OCc2ccccc2)CC1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
SMN1; SMN2 Q16637 4/20 0.54
CYP2C19 P33261 1/20 0.54
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
GAA P10253 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA7 P43166 3/20 0.47
CA9 Q16790 2/20 0.47
TMEM97 Q5BJF2 7/20 0.46
SIGMAR1 Q99720 7/20 0.46
HTR1A P08908 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
SCHEMBL25336065 0.92 MEN1 (0.52) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL955547 0.83 MEN1 (0.55) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL2674901 0.83 MEN1 (0.51) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL3902852 0.82 SMN1; SMN2 (0.56) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL5836154 0.82 MEN1 (0.53) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL379160 0.82 MEN1 (0.76) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL4814264 0.82 MEN1 (0.76) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL7393652 0.82 MEN1 (0.76) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL3970912 0.82 MEN1 (0.76) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19
SCHEMBL8386105 0.81 KMT2A (0.52) MEN1KMT2ANPSR1SMN1; SMN2CYP2C19

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1188755-B1 ACYLHYDRAZINE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2006-05-03 EP disclosed
US-6723722-B1 BLOOD COAGULATION FACTOR X INHIBITORS; ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-04-20 US disclosed
EP-1188755-A1 ACYLHYDRAZINE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-03-20 EP disclosed