SCHEMBL7966619

SCHEMBL7966619

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCNC(=O)OC(C)(C)C)ccc1N

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.41
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
CA9 Q16790 4/20 0.41
ATM Q13315 2/20 0.40
GPBAR1 Q8TDU6 1/20 0.38
DRD2 P14416 3/20 0.38
L3MBTL4 Q8NA19 1/20 0.36
L3MBTL3 Q96JM7 1/20 0.36
STING1 Q86WV6 1/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
BRD4 O60885 1/20 0.36

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
SCHEMBL7427859 0.88 GPBAR1 (0.38) CA12CA1CA2CA9ATM
SCHEMBL7422214 0.88 MAPT (0.43) CA12CA1CA2CA9ATM
SCHEMBL7476833 0.87 ALDH1A1 (0.43) CA12CA1CA2CA9ATM
SCHEMBL7969119 0.81 CA12 (0.53) CA12CA1CA2CA9L3MBTL4
SCHEMBL7348285 0.81 TP53 (0.38) ATMDRD2STING1ALDH1A1L3MBTL1
SCHEMBL7590287 0.81 MAPT (0.38) ATMALDH1A1L3MBTL1
SCHEMBL7347816 0.80 TP53 (0.38) ATMSTING1ALDH1A1L3MBTL1
SCHEMBL7780810 0.80 TP53 (0.42) ATMDRD2L3MBTL1BRD4
SCHEMBL7345297 0.80 MAPT (0.40) ATMDRD2STING1L3MBTL1BRD4
SCHEMBL7336388 0.80 TP53 (0.39) ATMSTING1L3MBTL1BRD4

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