SCHEMBL7599997

SCHEMBL7599997

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)ccc1C(=O)Nc1cccc2[nH]c(NC(=O)OC(C)(C)C)nc12

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.34
AVPR2 P30518 3/20 0.34
AVPR1A P37288 3/20 0.34
AVPR1B P47901 2/20 0.34
ABL1 P00519 1/20 0.34
SRC P12931 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
LCK P06239 1/20 0.33
MAP3K7 O43318 2/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
ADRA1D P25100 2/20 0.32
ADRA1A P35348 2/20 0.32
ADRA1B P35368 2/20 0.32
HTR4 Q13639 1/20 0.32

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
SCHEMBL7967059 0.93 JAK2 (0.33) JAK2ABL1SRCRXFP1LCK
SCHEMBL7480849 0.91 AVPR2 (0.35) AVPR2AVPR1AAVPR1BMAP3K7LMNA
SCHEMBL7978293 0.90 AVPR2 (0.34) AVPR2AVPR1AAVPR1BLCKMAP3K7
Hydrochloric Acid SCHEMBL7481449 0.90 AVPR2 (0.35) AVPR2AVPR1AAVPR1BMAP3K7LMNA
SCHEMBL7963915 0.90 PTK2 (0.35) AVPR2AVPR1AAVPR1BMAP3K7HTR4
Hydrochloric Acid SCHEMBL7963628 0.90 AVPR2 (0.34) AVPR2AVPR1AAVPR1BLCKMAP3K7
SCHEMBL7965069 0.90 LMNA (0.36) AVPR2AVPR1AAVPR1BMAP3K7LMNA
Dimethylamine SCHEMBL7972125 0.90 AVPR2 (0.35) AVPR2AVPR1AAVPR1BMAP3K7LMNA
SCHEMBL7964762 0.90 AVPR2 (0.37) AVPR2AVPR1AAVPR1BMAP3K7LMNA
Hydrochloric Acid SCHEMBL7970318 0.89 PTK2 (0.34) AVPR2AVPR1AAVPR1BMAP3K7HTR4

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