SCHEMBL7972157

SCHEMBL7972157

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCC(=C=O)N2CCN(C)CC2)ccc1NC(=O)c1cccc2ccn(COC(=O)C(C)(C)C)c12

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 3/20 0.32
AVPR2 P30518 2/20 0.31
AVPR1A P37288 2/20 0.31
AVPR1B P47901 2/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
ADRA1D P25100 3/20 0.30
ADRA1A P35348 3/20 0.30
ADRA1B P35368 3/20 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
SCHEMBL7474313 0.93 AVPR2 (0.36) MAP3K7AVPR2AVPR1AAVPR1BIRAK4
SCHEMBL7968552 0.84 HDAC8 (0.41) MAP3K7AVPR2AVPR1AAVPR1BIRAK4
SCHEMBL7962150 0.83 MAP3K7 (0.36) MAP3K7AVPR2AVPR1AAVPR1BIRAK4
SCHEMBL7975517 0.83 MAP3K7 (0.36) MAP3K7AVPR2AVPR1AAVPR1BIRAK4
SCHEMBL7478471 0.83 MAP3K7 (0.36) MAP3K7AVPR2AVPR1AAVPR1BIRAK4
Hydrochloric Acid SCHEMBL7965272 0.83 MAP3K7 (0.36) MAP3K7AVPR2AVPR1AAVPR1BIRAK4
Hydrochloric Acid SCHEMBL7971911 0.82 MAP3K7 (0.35) MAP3K7AVPR2AVPR1AAVPR1BIRAK4
SCHEMBL7964063 0.82 AVPR2 (0.40) MAP3K7AVPR2AVPR1AAVPR1BIRAK4
Hydrochloric Acid SCHEMBL7966414 0.82 MAP3K7 (0.34) MAP3K7AVPR2AVPR1AAVPR1BIRAK4
Hydrochloric Acid SCHEMBL7962145 0.81 AVPR2 (0.39) MAP3K7AVPR2AVPR1AAVPR1BIRAK4

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