SCHEMBL7562864

SCHEMBL7562864

Cn1c(CN(C=O)OC(C)(C)C)nc2c(C(=O)O)cccc21

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 1/20 0.41
PARP1 P09874 2/20 0.34
ALOX15 P16050 1/20 0.34
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
PPARG P37231 3/20 0.32
FABP4 P15090 2/20 0.32
ALDH1A1 P00352 3/20 0.32
DHODH Q02127 1/20 0.31

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
SCHEMBL7480444 0.88 TSHR (0.36) STING1PARP1ALOX15SMN1; SMN2ALDH1A1
SCHEMBL7970929 0.83 DHODH (0.45) MAPTHDAC6DHODH
SCHEMBL7562859 0.73 STING1 (0.54) STING1MAPTALDH1A1
SCHEMBL940068 0.70 PARP1 (0.42) STING1PARP1USP2SMN1; SMN2PPARG
SCHEMBL6922941 0.67 PARP1 (0.46) STING1PARP1FABP4ALDH1A1DHODH
SCHEMBL5604152 0.65 MEP1B (0.46) SMN1; SMN2
SCHEMBL5603701 0.64 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1
SCHEMBL7763429 0.64 MEN1 (0.41) ALDH1A1
SCHEMBL7060833 0.63 BACE1 (0.34) MAPT
SCHEMBL11503179 0.63 CYP1A2 (0.45) ALDH1A1

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