SCHEMBL7427558

SCHEMBL7427558

CNC(=O)c1nc2c(C(=O)OC)cccc2n1Cc1ccc(OC)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSPO P30536 2/20 0.47
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
GLA P06280 2/20 0.46
GAA P10253 2/20 0.46
HPGD P15428 2/20 0.46
CASP1 P29466 2/20 0.46
CASP7 P55210 2/20 0.46
HSD17B10 Q99714 2/20 0.46
DCTPP1 Q9H773 1/20 0.45
P2RX7 Q99572 3/20 0.42
PTGS2 P35354 1/20 0.41
MAPT P10636 1/20 0.41
P2RX4 Q99571 1/20 0.41
LMNA P02545 1/20 0.41
CNR2 P34972 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
USP2 O75604 1/20 0.41

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
SCHEMBL7483323 0.92 TSPO (0.47) TSPOKDM4EALDH1A1GLAGAA
SCHEMBL7966864 0.88 PARP1 (0.51) TSPOKDM4EALDH1A1GLAGAA
SCHEMBL7966547 0.86 TSPO (0.54) TSPOKDM4EALDH1A1GLAGAA
SCHEMBL7954430 0.78 PARP1 (0.52) TSPOKDM4EALDH1A1GLAGAA
SCHEMBL7965376 0.77 TSPO (0.54) TSPOKDM4EALDH1A1DCTPP1MAPT
SCHEMBL28398222 0.74 L3MBTL1 (0.50) ALDH1A1GAAL3MBTL1MEN1KMT2A
SCHEMBL1201709 0.73 ALDH1A1 (0.47) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL3794052 0.72 F10 (0.66) MAPTPARP1
SCHEMBL8600049 0.72 KDM4E (0.51) TSPOKDM4EALDH1A1GLAGAA
SCHEMBL8601846 0.71 PPARG (0.48) TSPOKDM4EALDH1A1GLAGAA

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
US-6316482-B1 FOR THERAPY AND PROPHYLAXIS OF HYPERTENSION, HEART FAILURE, RENAL INSUFFICIENCY, EDEMA, ASCITES, VASOPRESSIN PARASECRETION SYNDROME, HEPATOCIRRHOSIS, HYPONATREMIA, HYPOKALEMIA, DIABETIC, CIRCULATION DISORDER, CEREBROVASCULAR DISEASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-13 US disclosed
US-6207693-B1 Benzamide derivatives having a vasopressin antagonistic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-27 US disclosed
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