SCHEMBL7484393

SCHEMBL7484393

CN(CCN(C=O)OC(C)(C)C)c1nc2c([N+](=O)[O-])cccc2n1C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 8/20 0.34
DCTPP1 Q9H773 2/20 0.33
HTT P42858 1/20 0.32
MET P08581 2/20 0.32
PABPC1 P11940 1/20 0.31
NR1H3 Q13133 3/20 0.31
ALDH1A1 P00352 1/20 0.31
CA12 O43570 1/20 0.30
CA9 Q16790 1/20 0.30
ADORA3 P0DMS8 1/20 0.30

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
SCHEMBL7484398 0.82 CKS1B (0.42) NR1H2DCTPP1ALDH1A1
SCHEMBL7484481 0.74 DCTPP1 (0.47) NR1H2DCTPP1HTTMETNR1H3
SCHEMBL7475885 0.73 CHRM2 (0.37) NR1H2DCTPP1ALDH1A1ADORA3
SCHEMBL7593155 0.71 AAK1 (0.38) NR1H2DCTPP1NR1H3ADORA3
SCHEMBL7481176 0.67 CKS1B (0.45) NR1H2NR1H3
SCHEMBL7965370 0.67 BRD4 (0.44) NR1H2ADORA3
SCHEMBL2860553 0.66 MET (0.40) DCTPP1HTTMETALDH1A1
SCHEMBL13426645 0.64 HTT (0.49) HTTMETALDH1A1
SCHEMBL9003358 0.63 CTSD (0.43) HTTALDH1A1CA12
SCHEMBL29510797 0.63 CREBBP (0.44) HTTMETALDH1A1

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-0946519-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-06 EP disclosed
WO-1998024771-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-11 WO disclosed