SCHEMBL7969505

SCHEMBL7969505

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)ccc1NC(=O)c1cccc2nc(CN(C=O)OC(C)(C)C)n(C)c12

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 4/20 0.36
AVPR1A P37288 4/20 0.36
AVPR1B P47901 4/20 0.36
IRAK4 Q9NWZ3 5/20 0.33
MAP3K7 O43318 4/20 0.32
PTK2 Q05397 1/20 0.31

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
SCHEMBL7955163 0.92 AVPR2 (0.36) AVPR2AVPR1AAVPR1BIRAK4MAP3K7
SCHEMBL7966750 0.89 AVPR2 (0.38) AVPR2AVPR1AAVPR1BIRAK4MAP3K7
Hydrochloric Acid SCHEMBL7973715 0.88 AVPR2 (0.37) AVPR2AVPR1AAVPR1BIRAK4MAP3K7
SCHEMBL7969502 0.88 AVPR2 (0.35) AVPR2AVPR1AAVPR1BIRAK4MAP3K7
SCHEMBL7964976 0.84 AVPR2 (0.39) AVPR2AVPR1AAVPR1BIRAK4MAP3K7
Hydrochloric Acid SCHEMBL7965268 0.83 AVPR2 (0.39) AVPR2AVPR1AAVPR1BIRAK4MAP3K7
SCHEMBL7962033 0.82 AVPR2 (0.38) AVPR2AVPR1AAVPR1BIRAK4
SCHEMBL7969301 0.82 AVPR2 (0.40) AVPR2AVPR1AAVPR1BIRAK4MAP3K7
SCHEMBL7964063 0.82 AVPR2 (0.40) AVPR2AVPR1AAVPR1BIRAK4MAP3K7
Hydrochloric Acid SCHEMBL7966414 0.81 MAP3K7 (0.34) AVPR2AVPR1AAVPR1BIRAK4MAP3K7

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