SCHEMBL7968092

SCHEMBL7968092

CNC(=O)c1cc2c(C(=O)Nc3ccc(C(=O)N(C)c4ccc(C)cc4OCCCCCC(=O)N4CCN(C)CC4)cc3OC)cccc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 4/20 0.38
AVPR1A P37288 4/20 0.38
AVPR1B P47901 4/20 0.38
HRH4 Q9H3N8 2/20 0.37
MAP3K7 O43318 4/20 0.36
IRAK4 Q9NWZ3 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 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
Hydrochloric Acid SCHEMBL7966173 0.99 AVPR2 (0.38) AVPR2AVPR1AAVPR1BHRH4MAP3K7
SCHEMBL7964371 0.94 AVPR2 (0.40) AVPR2AVPR1AAVPR1BHRH4MAP3K7
SCHEMBL7962320 0.94 AVPR2 (0.39) AVPR2AVPR1AAVPR1BHRH4MAP3K7
Hydrochloric Acid SCHEMBL7962159 0.94 AVPR2 (0.38) AVPR2AVPR1AAVPR1BHRH4MAP3K7
SCHEMBL7966373 0.94 AVPR2 (0.38) AVPR2AVPR1AAVPR1BHRH4MAP3K7
Hydrochloric Acid SCHEMBL7968775 0.93 AVPR2 (0.38) AVPR2AVPR1AAVPR1BHRH4MAP3K7
SCHEMBL7568896 0.93 AVPR2 (0.39) AVPR2AVPR1AAVPR1BHRH4MAP3K7
SCHEMBL7570557 0.93 AVPR2 (0.38) AVPR2AVPR1AAVPR1BHRH4MAP3K7
Hydrochloric Acid SCHEMBL7966156 0.93 AVPR2 (0.39) AVPR2AVPR1AAVPR1BHRH4MAP3K7
Hydrochloric Acid SCHEMBL7965642 0.92 AVPR2 (0.37) AVPR2AVPR1AAVPR1BHRH4MAP3K7

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