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SCHEMBL7973552

SCHEMBL7973552

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)ccc1NC(=O)c1cccc2c1c(C(C)(C)C)c(CO[SiH](c1ccccc1)c1ccccc1)n2C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AVPR2 P30518 5/20 0.35
▸ AVPR1A P37288 5/20 0.35
▸ AVPR1B P47901 5/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.32
▸ ADRA1D P25100 2/20 0.30
▸ ADRA1A P35348 2/20 0.30
▸ ADRA1B P35368 2/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL7967297 0.92 AVPR2 (0.35) AVPR2AVPR1AAVPR1BRXFP1ADRA1D
SCHEMBL7966878 0.85 AVPR2 (0.33) AVPR2AVPR1AAVPR1BADRA1DADRA1A
SCHEMBL7973515 0.84 AVPR2 (0.37) AVPR2AVPR1AAVPR1BRXFP1MEN1
SCHEMBL7973561 0.83 AVPR2 (0.38) AVPR2AVPR1AAVPR1BRXFP1MEN1
SCHEMBL7966876 0.83 AVPR2 (0.36) AVPR2AVPR1AAVPR1BRXFP1ADRA1D
SCHEMBL7964705 0.83 AVPR2 (0.36) AVPR2AVPR1AAVPR1BADRA1DADRA1A
SCHEMBL7966310 0.82 AVPR2 (0.37) AVPR2AVPR1AAVPR1BRXFP1MEN1
SCHEMBL7964892 0.81 AVPR2 (0.35) AVPR2AVPR1AAVPR1BRXFP1MEN1
SCHEMBL7967301 0.81 AVPR2 (0.35) AVPR2AVPR1AAVPR1BRXFP1ADRA1D
SCHEMBL7962351 0.81 AVPR2 (0.37) AVPR2AVPR1AAVPR1BMEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6207693-B1 Benzamide derivatives having a vasopressin antagonistic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-27 — — US disclosed