SCHEMBL7599052

SCHEMBL7599052

COc1cc(C(=O)N(C)c2ccccc2N2CCOCC2)ccc1C(=O)Nc1cccc2[nH]cnc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
F2 P00734 1/20 0.49
POLB P06746 1/20 0.49
IRAK4 Q9NWZ3 2/20 0.47
ALDH1A1 P00352 6/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 4/20 0.43
GAA P10253 2/20 0.43
LMNA P02545 2/20 0.43
TSHR P16473 1/20 0.43
BRPF1 P55201 1/20 0.43
AKT1 P31749 1/20 0.42
STAT3 P40763 1/20 0.42
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.41
ABCB1 P08183 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
SCHEMBL7593381 0.87 BRD4 (0.43) POLBIRAK4MAPTGAALMNA
Hydrochloric Acid SCHEMBL7598923 0.86 BRD4 (0.42) POLBIRAK4MAPTGAALMNA
SCHEMBL7538522 0.82 BRPF1 (0.42) HTTTDP1POLBALDH1A1SMN1; SMN2
SCHEMBL7481778 0.82 BRPF1 (0.44) HTTTDP1POLBIRAK4ALDH1A1
SCHEMBL7973753 0.81 KMT2A (0.46) POLBALDH1A1MAPTGAABRPF1
SCHEMBL7594101 0.80 BRD4 (0.40) POLBIRAK4MAPTLMNAMEN1
SCHEMBL7594888 0.80 KMT2A (0.45) POLBALDH1A1SMN1; SMN2MAPTTSHR
Hydrochloric Acid SCHEMBL7598631 0.80 KMT2A (0.45) POLBALDH1A1MAPTGAABRPF1
Hydrochloric Acid SCHEMBL7969803 0.80 BRD4 (0.40) POLBIRAK4MAPTLMNAMEN1
Hydrochloric Acid SCHEMBL7965581 0.79 KMT2A (0.44) POLBALDH1A1SMN1; SMN2MAPTTSHR

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