SCHEMBL7954752

SCHEMBL7954752

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)ccc1NC(=O)c1cccc2[nH]c(CN3C(=O)c4ccccc4C3=O)nc12

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 5/20 0.39
AVPR1A P37288 5/20 0.39
AVPR1B P47901 5/20 0.39
MAP3K7 O43318 3/20 0.36
BRD4 O60885 2/20 0.34
DCLK1 O15075 1/20 0.34
MAPK7 Q13164 1/20 0.34
LRRK2 Q5S007 1/20 0.34
POLB P06746 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PARP1 P09874 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 0.95 AVPR2 (0.38) AVPR2AVPR1AAVPR1BMAP3K7BRD4
SCHEMBL7569093 0.95 AVPR2 (0.38) AVPR2AVPR1AAVPR1BMAP3K7BRD4
SCHEMBL7975558 0.94 AVPR2 (0.35) AVPR2AVPR1AAVPR1BMAP3K7BRD4
SCHEMBL7961921 0.92 MAP3K7 (0.38) AVPR2AVPR1AAVPR1BMAP3K7
Hydrochloric Acid SCHEMBL7955955 0.92 MAP3K7 (0.38) AVPR2AVPR1AAVPR1BMAP3K7
SCHEMBL7954148 0.91 MAP3K7 (0.39) AVPR2AVPR1AAVPR1BMAP3K7BRD4
SCHEMBL7598670 0.91 AVPR2 (0.39) AVPR2AVPR1AAVPR1BMAP3K7BRD4
Hydrochloric Acid SCHEMBL7955263 0.91 AVPR2 (0.39) AVPR2AVPR1AAVPR1BMAP3K7BRD4
SCHEMBL7962035 0.91 AVPR2 (0.37) AVPR2AVPR1AAVPR1BMAP3K7BRD4
SCHEMBL7479606 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 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