SCHEMBL7569093

SCHEMBL7569093

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)ccc1NC(=O)c1cccc2[nH]c(CCCN3C(=O)c4ccccc4C3=O)nc12

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 4/20 0.38
AVPR1A P37288 4/20 0.38
AVPR1B P47901 4/20 0.38
ALDH1A1 P00352 6/20 0.36
POLB P06746 1/20 0.36
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAP3K7 O43318 2/20 0.35
KDM4E B2RXH2 2/20 0.34
HPGD P15428 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
DCLK1 O15075 1/20 0.33
BRD4 O60885 1/20 0.33
MAPK7 Q13164 1/20 0.33
LRRK2 Q5S007 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
SCHEMBL7476174 0.97 AVPR2 (0.38) AVPR2AVPR1AAVPR1BALDH1A1POLB
SCHEMBL7966328 0.95 AVPR2 (0.36) AVPR2AVPR1AAVPR1BALDH1A1LMNA
SCHEMBL7954752 0.95 AVPR2 (0.39) AVPR2AVPR1AAVPR1BALDH1A1POLB
SCHEMBL7483216 0.92 AVPR2 (0.38) AVPR2AVPR1AAVPR1BMAP3K7BRD4
Hydrochloric Acid SCHEMBL7485435 0.91 AVPR2 (0.36) AVPR2AVPR1AAVPR1BMAP3K7BRD4
Hydrochloric Acid SCHEMBL7963173 0.91 AVPR2 (0.38) AVPR2AVPR1AAVPR1BMAP3K7BRD4
SCHEMBL7953928 0.91 AVPR2 (0.37) AVPR2AVPR1AAVPR1BMAP3K7BRD4
SCHEMBL7972260 0.91 AVPR2 (0.35) AVPR2AVPR1AAVPR1BALDH1A1POLB
SCHEMBL7972243 0.91 AVPR2 (0.37) AVPR2AVPR1AAVPR1BMAP3K7BRD4
Hydrochloric Acid SCHEMBL7964657 0.91 AVPR2 (0.37) AVPR2AVPR1AAVPR1BMAP3K7BRD4

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