SCHEMBL7488123

SCHEMBL7488123

COC(=O)c1ccc(C(=O)Nc2ccccc2C2=NC3(CCCC3)CO2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 1/20 0.48
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
KDM4E B2RXH2 5/20 0.45
MAPT P10636 5/20 0.45
ALDH1A1 P00352 4/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 2/20 0.45
POLB P06746 2/20 0.45
TP53 P04637 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 4/20 0.43
HTT P42858 1/20 0.43
CHEK1 O14757 1/20 0.43
PIM1 P11309 1/20 0.43
MAPK8 P45983 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
MAPK1 P28482 2/20 0.43
HSD17B10 Q99714 2/20 0.43

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
SCHEMBL7422787 0.87 NPC1 (0.48) PDE5ARAB9ANPC1TDP1KDM4E
SCHEMBL7485636 0.83 PIK3CA (0.35) PDE5ARAB9ANPC1TDP1KDM4E
SCHEMBL7963293 0.81 NPC1 (0.53) PDE5ARAB9ANPC1TDP1KDM4E
SCHEMBL7422462 0.81 KDM4E (0.51) PDE5ARAB9ANPC1TDP1KDM4E
SCHEMBL7964711 0.75 PDE5A (0.49) PDE5ARAB9ANPC1TDP1MAPT
SCHEMBL7597506 0.74 RAB9A (0.34) RAB9ANPC1MAPTALDH1A1KMT2A
Hydrochloric Acid SCHEMBL7970610 0.74 RAB9A (0.33) RAB9ANPC1MAPTALDH1A1KMT2A
SCHEMBL7420616 0.73 SIRT1 (0.55) PDE5AKDM4EMAPTALDH1A1KMT2A
SCHEMBL7425303 0.71 KMT2A (0.72) TDP1MAPTALDH1A1KMT2AMEN1
SCHEMBL7423430 0.70 PIK3CA (0.36) PDE5AKDM4EMAPTALDH1A1KMT2A

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