SCHEMBL7967301

SCHEMBL7967301

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)ccc1NC(=O)c1cccc2c1cc(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)n2C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 6/20 0.35
AVPR1A P37288 6/20 0.35
AVPR1B P47901 5/20 0.35
RXFP1 Q9HBX9 1/20 0.32
TLR9 Q9NR96 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAP3K7 O43318 1/20 0.31
ADRA1D P25100 1/20 0.30
ADRA1A P35348 1/20 0.30
ADRA1B P35368 1/20 0.30
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
TSHR P16473 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL7966867 0.89 AVPR2 (0.35) AVPR2AVPR1AAVPR1BRXFP1MAP3K7
SCHEMBL7973515 0.88 AVPR2 (0.37) AVPR2AVPR1AAVPR1BRXFP1RAB9A
SCHEMBL7966876 0.88 AVPR2 (0.36) AVPR2AVPR1AAVPR1BRXFP1MAP3K7
SCHEMBL7962351 0.88 AVPR2 (0.37) AVPR2AVPR1AAVPR1BRAB9ASMN1; SMN2
SCHEMBL7964892 0.85 AVPR2 (0.35) AVPR2AVPR1AAVPR1BRXFP1RAB9A
SCHEMBL7478370 0.85 AVPR2 (0.37) AVPR2AVPR1AAVPR1BRAB9ASMN1; SMN2
SCHEMBL7478365 0.84 AVPR2 (0.37) AVPR2AVPR1AAVPR1BMAP3K7
SCHEMBL7475346 0.83 MAP3K7 (0.32) AVPR2AVPR1AAVPR1BRXFP1MAP3K7
SCHEMBL7475173 0.82 AVPR2 (0.32) AVPR2AVPR1AAVPR1BRXFP1MAP3K7
SCHEMBL7973561 0.81 AVPR2 (0.38) AVPR2AVPR1AAVPR1BRXFP1RAB9A

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