SCHEMBL7422787

SCHEMBL7422787

COC(=O)c1ccc(C(=O)Nc2ccccc2C2=NC(C)(C)CO2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
PDE5A O76074 1/20 0.48
KDM4E B2RXH2 5/20 0.47
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 4/20 0.47
MAPT P10636 4/20 0.47
MEN1 O00255 2/20 0.47
POLB P06746 2/20 0.47
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 3/20 0.46
HTT P42858 1/20 0.46
CHEK1 O14757 1/20 0.46
PIM1 P11309 1/20 0.46
MAPK8 P45983 1/20 0.46
CLK4 Q9HAZ1 1/20 0.46
MAPK1 P28482 2/20 0.45
HSD17B10 Q99714 2/20 0.45

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
SCHEMBL7488123 0.87 PDE5A (0.48) NPC1RAB9APDE5AKDM4EKMT2A
SCHEMBL7964711 0.85 PDE5A (0.49) NPC1RAB9APDE5AKMT2AALDH1A1
SCHEMBL7422462 0.83 KDM4E (0.51) NPC1RAB9APDE5AKDM4EKMT2A
SCHEMBL7423430 0.82 PIK3CA (0.36) PDE5AKDM4EKMT2AALDH1A1MAPT
SCHEMBL7963293 0.81 NPC1 (0.53) NPC1RAB9APDE5AKDM4EKMT2A
SCHEMBL7420616 0.76 SIRT1 (0.55) PDE5AKDM4EKMT2AALDH1A1MAPT
SCHEMBL7967008 0.74 PIK3CA (0.36) RAB9AKDM4EALDH1A1MAPTLMNA
SCHEMBL8873929 0.74 EGFR (0.44) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL7594101 0.73 BRD4 (0.40) NPC1RAB9AKMT2AMAPTMEN1
SCHEMBL27414505 0.73 KDM4E (0.40) NPC1RAB9AKDM4EALDH1A1MAPT

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