SCHEMBL7964892

SCHEMBL7964892

CCOC(=O)c1cc2c(C(=O)Nc3ccc(C(=O)N(C)c4ccc(C)cc4OCCCCCC(=O)N4CCN(C)CC4)cc3OC)cccc2n1C(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 4/20 0.35
AVPR1A P37288 4/20 0.35
AVPR1B P47901 4/20 0.35
TP53 P04637 2/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAP3K7 O43318 2/20 0.32
RXFP1 Q9HBX9 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ATM Q13315 1/20 0.31
JAK2 O60674 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
SCHEMBL7973515 0.92 AVPR2 (0.37) AVPR2AVPR1AAVPR1BTP53RAB9A
SCHEMBL7962351 0.87 AVPR2 (0.37) AVPR2AVPR1AAVPR1BTP53RAB9A
SCHEMBL7962073 0.86 AVPR2 (0.38) AVPR2AVPR1AAVPR1BRAB9ASMN1; SMN2
SCHEMBL7967301 0.85 AVPR2 (0.35) AVPR2AVPR1AAVPR1BTP53RAB9A
Hydrochloric Acid SCHEMBL7482474 0.85 AVPR2 (0.38) AVPR2AVPR1AAVPR1BRAB9ASMN1; SMN2
SCHEMBL7475346 0.85 MAP3K7 (0.32) AVPR2AVPR1AAVPR1BMAP3K7RXFP1
SCHEMBL7570557 0.84 AVPR2 (0.38) AVPR2AVPR1AAVPR1BTP53MAP3K7
SCHEMBL7966310 0.84 AVPR2 (0.37) AVPR2AVPR1AAVPR1BTP53RAB9A
SCHEMBL7968223 0.84 AVPR2 (0.40) AVPR2AVPR1AAVPR1BTP53RAB9A
SCHEMBL7955157 0.84 AVPR2 (0.36) AVPR2AVPR1AAVPR1BMAP3K7MEN1

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