SCHEMBL7020652

SCHEMBL7020652

CC(=O)N1CCCN(C)c2ncccc21

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.51
TP53 P04637 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
MAPT P10636 1/20 0.48
POLB P06746 1/20 0.48
NOTUM Q6P988 9/20 0.48
CYP11B2 P19099 2/20 0.41
MTNR1A P48039 1/20 0.39
CYP11B1 P15538 1/20 0.38
BRD4 O60885 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CASP1 P29466 1/20 0.38
HTT P42858 1/20 0.38
CASP7 P55210 1/20 0.38
HBB P68871 1/20 0.38

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
SCHEMBL6968818 0.80 AVPR2 (0.52) GAATP53SMN1; SMN2MAPTPOLB
SCHEMBL6959468 0.77 AVPR2 (0.42) GAATP53SMN1; SMN2MAPTPOLB
SCHEMBL25629357 0.77 GAA (0.54) GAATP53SMN1; SMN2MAPTPOLB
SCHEMBL14970381 0.76 NOTUM (0.58) GAATP53SMN1; SMN2NOTUMCYP11B2
SCHEMBL30158322 0.76 NOTUM (0.58) GAATP53SMN1; SMN2NOTUMCYP11B2
SCHEMBL24342186 0.75 GAA (0.47) GAATP53SMN1; SMN2MAPTPOLB
SCHEMBL15632473 0.75 NOTUM (0.53) TP53NOTUMCYP11B2CYP11B1ALDH1A1
SCHEMBL7022861 0.73 PDE4A (0.47) GAATP53SMN1; SMN2MAPTPOLB
SCHEMBL7012208 0.72 PDE4A (0.47) GAATP53SMN1; SMN2MAPTPOLB
SCHEMBL15632547 0.72 NOTUM (0.56) POLBNOTUMCYP11B2CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1051415-B1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2003-09-24 EP disclosed
US-6495542-B1 SUCH AS 2-METHOXY-N-(2-METHYL-1H-BENZIMIDAZOL-4-YL)-4-(2,3,4,5-TETRAHYDRO-5-OXO-1H-1-BENZAZEPIN-1-YL)CARBONYL-BENZAM IDE; HYPERTENSION, HEART FAILURE, RENAL INSUFFICIENCY, EDEMA, ASCITES, VASOPRESSIN PARASECRETION SYNDROME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-17 US disclosed
EP-1051415-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-11-15 EP disclosed
WO-1999037637-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-07-29 WO disclosed