SCHEMBL7970929

SCHEMBL7970929

Cn1c(CN(C=O)OC(C)(C)C)nc2cccc(C(=O)O)c21

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.45
ACKR3 P25106 2/20 0.33
MAPT P10636 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32

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
SCHEMBL7422029 0.88 TSHR (0.36) DHODH
SCHEMBL7562864 0.83 STING1 (0.41) DHODHMAPTHDAC6
SCHEMBL7970926 0.73 DHODH (0.46) DHODHACKR3MAPT
SCHEMBL6866628 0.66 DHODH (0.54) DHODH
SCHEMBL29281090 0.66 DHODH (0.57) DHODH
SCHEMBL5604152 0.65 MEP1B (0.46)
SCHEMBL5603701 0.64 ALDH1A1 (0.43)
SCHEMBL29308340 0.64 DHODH (0.51) DHODHMAPT
SCHEMBL7763429 0.64 MEN1 (0.41)
SCHEMBL2397307 0.64 DHODH (0.54) DHODHMAPT

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 2 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