SCHEMBL8735101

SCHEMBL8735101

Cc1nnc(C(=O)O)n1-c1ccc(-c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 2/20 0.58
OXTR P30559 1/20 0.52
ALDH1A1 P00352 3/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
AVPR2 P30518 1/20 0.42
RXRA P19793 1/20 0.42
APP P05067 1/20 0.42
MYC P01106 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
SCHEMBL10480847 0.76 AVPR1A (0.66) AVPR1AOXTRALDH1A1MAPTPKM
SCHEMBL4879878 0.73 AVPR1A (0.49) AVPR1AOXTRALDH1A1MAPTPKM
SCHEMBL3421771 0.70 AVPR1A (0.67) AVPR1AOXTRALDH1A1HTTHSD17B10
SCHEMBL17153832 0.70 AVPR1A (0.49) AVPR1AOXTRALDH1A1HTTHSD17B10
SCHEMBL6547461 0.70 AVPR1A (0.45) AVPR1AOXTRALDH1A1MAPTPKM
SCHEMBL515383 0.70 AVPR1A (0.92) AVPR1AOXTRALDH1A1SMN1; SMN2HSD17B10
SCHEMBL11586685 0.69 ALDH1A1 (0.39) ALDH1A1MAPTHTTHSD17B10
SCHEMBL28320964 0.69 AVPR1A (0.71) AVPR1AOXTRALDH1A1SMN1; SMN2HSD17B10
SCHEMBL31711434 0.69 AVPR1A (0.59) AVPR1AOXTRALDH1A1MAPTPKM
SCHEMBL29406171 0.68 AVPR1A (0.89) AVPR1AOXTRALDH1A1SMN1; SMN2HSD17B10

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
EP-0831911-A2 SPIRONOLACTONE AND ANGIOTENSIN II ANTAGONIST COMBINATION THERAPY FOR TREATMENT OF CONGESTIVE HEART FAILURE G.D. SEARLE & CO. (US) 1998-04-01 EP disclosed
EP-0664802-A1 N-ARYLHETEROARYLALKYL 1-PHENYL-IMIDAZOL-2-ONE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1995-08-02 EP disclosed