SCHEMBL7480444

SCHEMBL7480444

CCOC(=O)c1cccc2c1nc(CN(C=O)OC(C)(C)C)n2C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 4/20 0.35
CYP1A2 P05177 1/20 0.34
ALDH1A1 P00352 5/20 0.34
CDC25B P30305 2/20 0.34
GAA P10253 3/20 0.34
ELANE P08246 3/20 0.34
ADORA3 P0DMS8 1/20 0.34
PARP1 P09874 1/20 0.34
HSD17B10 Q99714 2/20 0.33
HPGD P15428 2/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33

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
SCHEMBL7562864 0.88 STING1 (0.41) ALDH1A1PARP1ALOX15SMN1; SMN2STING1
SCHEMBL7479778 0.77 TSHR (0.46) TSHRNPC1RAB9AKDM4ECYP1A2
SCHEMBL7480439 0.76 NPC1 (0.44) TSHRNPC1RAB9AKDM4ECYP1A2
SCHEMBL7477457 0.74 TSHR (0.51) TSHRNPC1RAB9AKDM4ECYP1A2
SCHEMBL7970929 0.73 DHODH (0.45)
SCHEMBL7479209 0.71 MEN1 (0.44) TSHRNPC1RAB9AKDM4ECYP1A2
SCHEMBL940950 0.70 ALDH1A1 (0.37) KDM4EALDH1A1GAAPARP1ATM
SCHEMBL7259069 0.67 ALDH1A1 (0.53) TSHRNPC1RAB9AKDM4ECYP1A2
SCHEMBL7485367 0.66 TSHR (0.50) TSHRRAB9AKDM4ECYP1A2ALDH1A1
SCHEMBL29784480 0.65 PARP1 (0.45) TSHRKDM4EALDH1A1GAAPARP1

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