SCHEMBL7485367

SCHEMBL7485367

CCOC(=O)c1cccc2c1nc(C)n2CC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
KDM4E B2RXH2 7/20 0.49
ALDH1A1 P00352 5/20 0.49
HSD17B10 Q99714 3/20 0.49
GAA P10253 2/20 0.49
HPGD P15428 2/20 0.49
ALOX15 P16050 1/20 0.49
ATM Q13315 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CYP1A2 P05177 1/20 0.46
CDC25B P30305 2/20 0.45
PTGER4 P35408 1/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.42
USP2 O75604 1/20 0.42
HTT P42858 1/20 0.42
CDC25A P30304 1/20 0.42
CDC25C P30307 1/20 0.42
GLA P06280 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL7477457 0.84 TSHR (0.51) TSHRKDM4EALDH1A1HSD17B10GAA
SCHEMBL7480155 0.84 KMT2A (0.46) KDM4EALDH1A1PTGER4KMT2ARAB9A
SCHEMBL6168359 0.79 LMNA (0.54) KDM4EALDH1A1GAAL3MBTL1CYP1A2
SCHEMBL7485320 0.78 NPSR1 (0.44) TSHRKDM4EALDH1A1HSD17B10GAA
SCHEMBL24745161 0.76 PTGDR2 (0.50) TSHRKDM4EHSD17B10GAAHPGD
SCHEMBL30000721 0.76 PTGDR2 (0.50) TSHRKDM4EHSD17B10GAAHPGD
SCHEMBL8600239 0.75 TSHR (0.41) TSHRKDM4EALDH1A1HSD17B10GAA
SCHEMBL7479778 0.75 TSHR (0.46) TSHRKDM4EALDH1A1HSD17B10GAA
SCHEMBL5773371 0.75 MAPK1 (0.59) TSHRKDM4EALDH1A1HSD17B10GAA
SCHEMBL3784898 0.75 KDM4E (0.48) TSHRKDM4EALDH1A1HSD17B10GAA

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