SCHEMBL6972083

SCHEMBL6972083

Nc1ccc(C(=O)N2CC(=O)Nc3ccccc32)cc1

nearest known ligand 0.79

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.79
ALDH1A1 P00352 3/20 0.70
LMNA P02545 1/20 0.70
NPSR1 Q6W5P4 1/20 0.70
SMN1; SMN2 Q16637 2/20 0.64
RAB9A P51151 1/20 0.64
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63
BRD4 O60885 6/20 0.59
TSHR P16473 1/20 0.59
BRD2 P25440 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.57
CASP3 P42574 1/20 0.57
CASP2 P42575 1/20 0.57

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
SCHEMBL9375233 0.88 HTT (1.00) HTTALDH1A1LMNANPSR1SMN1; SMN2
SCHEMBL6966461 0.86 BRD4 (0.65) HTTALDH1A1LMNANPSR1SMN1; SMN2
SCHEMBL6962591 0.82 HTT (0.71) HTTALDH1A1LMNANPSR1SMN1; SMN2
SCHEMBL19960683 0.79 HTT (0.68) HTTALDH1A1LMNANPSR1SMN1; SMN2
SCHEMBL18660612 0.78 HTT (0.80) HTTALDH1A1LMNANPSR1SMN1; SMN2
SCHEMBL6965999 0.77 LMNA (0.57) HTTALDH1A1LMNANPSR1SMN1; SMN2
SCHEMBL2798583 0.77 HTT (0.69) HTTALDH1A1LMNANPSR1SMN1; SMN2
SCHEMBL19260255 0.77 HTT (0.74) HTTALDH1A1LMNANPSR1SMN1; SMN2
SCHEMBL29897959 0.77 HTT (0.69) HTTALDH1A1LMNANPSR1SMN1; SMN2
SCHEMBL25430532 0.77 CASP3 (0.76) HTTALDH1A1LMNANPSR1SMN1; SMN2

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-0620216-B1 Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2003-01-08 EP disclosed
US-5521170-A VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-28 US disclosed
EP-0620216-A1 Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 EP disclosed