SCHEMBL7954760

SCHEMBL7954760

CNC(=O)c1nc2c(C(=O)Nc3ccc(C(=O)N(C)c4ccc(C)cc4OCCCCCC(=O)N4CCN(C)CC4)cc3OC)cccc2n1Cc1ccc(OC)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 3/20 0.36
AVPR1A P37288 3/20 0.36
AVPR1B P47901 3/20 0.36
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
MAP3K7 O43318 4/20 0.34
IRAK4 Q9NWZ3 1/20 0.33
KMT2A Q03164 2/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPC1 O15118 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
SCHEMBL7964596 0.95 AVPR2 (0.36) AVPR2AVPR1AAVPR1BPOLBMAPT
SCHEMBL7966222 0.95 AVPR2 (0.36) AVPR2AVPR1AAVPR1BPOLBMAPT
SCHEMBL7970647 0.86 MAP3K7 (0.38) AVPR2AVPR1AAVPR1BMAP3K7IRAK4
SCHEMBL7966116 0.86 MAP3K7 (0.38) AVPR2AVPR1AAVPR1BMAPTMAP3K7
Hydrochloric Acid SCHEMBL7954456 0.86 MAP3K7 (0.38) AVPR2AVPR1AAVPR1BMAP3K7IRAK4
SCHEMBL7962075 0.86 MAP3K7 (0.39) AVPR2AVPR1AAVPR1BMAP3K7IRAK4
Hydrochloric Acid SCHEMBL7964669 0.85 MAP3K7 (0.38) AVPR2AVPR1AAVPR1BMAPTMAP3K7
Hydrochloric Acid SCHEMBL7954696 0.85 MAP3K7 (0.39) AVPR2AVPR1AAVPR1BMAP3K7IRAK4
SCHEMBL7967359 0.85 AVPR2 (0.35) AVPR2AVPR1AAVPR1BMAP3K7IRAK4
SCHEMBL7966800 0.84 AVPR2 (0.38) AVPR2AVPR1AAVPR1BMAPTMAP3K7

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 2 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