SCHEMBL7376609

SCHEMBL7376609

COc1cccc(N(C)C(=O)c2ccc(N)cc2)c1

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 16/20 0.75
HSD17B1 P14061 14/20 0.75
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
APP P05067 1/20 0.46

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
SCHEMBL6796131 0.90 HSD17B2 (0.91) HSD17B2HSD17B1MTNR1AMTNR1BAPP
SCHEMBL7376311 0.82 HSD17B1 (0.57) HSD17B2HSD17B1
SCHEMBL7376601 0.81 HSD17B2 (0.68) HSD17B2HSD17B1
SCHEMBL7374140 0.81 HSD17B1 (0.71) HSD17B2HSD17B1
SCHEMBL12688055 0.80 HSD17B2 (1.00) HSD17B2HSD17B1
SCHEMBL7368760 0.79 HTR3E (0.54) HSD17B2HSD17B1
SCHEMBL12687959 0.79 HSD17B2 (0.73) HSD17B2HSD17B1MTNR1AMTNR1B
SCHEMBL7373511 0.78 KMT2A (0.64)
SCHEMBL12495904 0.78 HSD17B2 (0.90) HSD17B2HSD17B1MTNR1AMTNR1B
SCHEMBL666123 0.77 HSD17B2 (0.66) HSD17B2HSD17B1APP

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-6211242-B1 CARDIOVASCULAR DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-04-03 US disclosed
EP-0757670-B1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 1999-01-13 EP disclosed
EP-0757670-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-02-12 EP disclosed
WO-1995029152-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-11-02 WO disclosed