SCHEMBL7483323

SCHEMBL7483323

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSPO P30536 2/20 0.47
FABP4 P15090 1/20 0.46
DCTPP1 Q9H773 1/20 0.45
CHRM1 P11229 1/20 0.44
PPARG P37231 2/20 0.43
CCR2 P41597 1/20 0.43
AGTR1 P30556 2/20 0.42
AGTR2 P50052 2/20 0.42
TBXA2R P21731 1/20 0.42
TP53 P04637 2/20 0.42
USP2 O75604 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 2/20 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
SCHEMBL7427558 0.92 TSPO (0.47) TSPODCTPP1TBXA2RUSP2KDM4E
SCHEMBL7954430 0.87 PARP1 (0.52) TSPOFABP4DCTPP1CHRM1PPARG
SCHEMBL7965376 0.85 TSPO (0.54) TSPOFABP4DCTPP1CHRM1PPARG
SCHEMBL8601846 0.80 PPARG (0.48) TSPOFABP4DCTPP1CHRM1PPARG
SCHEMBL7966864 0.80 PARP1 (0.51) TSPODCTPP1TP53USP2KDM4E
SCHEMBL7966547 0.78 TSPO (0.54) TSPODCTPP1TBXA2RKDM4EALDH1A1
SCHEMBL8602720 0.69 PDE4B (0.44) DCTPP1KDM4EALDH1A1GLAGAA
SCHEMBL7966866 0.69 CCR2 (0.46) TSPODCTPP1CCR2TP53USP2
SCHEMBL6953212 0.69 PPARG (0.50) DCTPP1PPARGAGTR1AGTR2TBXA2R
SCHEMBL1160121 0.69 AGTR2 (0.49) PPARGCCR2AGTR2KDM4EHPGD

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