SCHEMBL7345366

SCHEMBL7345366

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)ccc1NC(=O)c1ccccc1OCCCC(=O)O

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 5/20 0.46
AVPR1A P37288 5/20 0.46
AVPR1B P47901 4/20 0.46
ADRA1D P25100 7/20 0.43
ADRA1A P35348 7/20 0.43
ADRA1B P35368 7/20 0.43
LPAR1 Q92633 1/20 0.40
LPAR2 Q9HBW0 1/20 0.40
LPAR3 Q9UBY5 1/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL7343561 0.96 AVPR2 (0.43) AVPR2AVPR1AAVPR1BADRA1DADRA1A
SCHEMBL7342173 0.94 AVPR2 (0.43) AVPR2AVPR1AAVPR1BADRA1DADRA1A
SCHEMBL7336265 0.94 AVPR2 (0.42) AVPR2AVPR1AAVPR1BADRA1DADRA1A
SCHEMBL7336166 0.94 AVPR2 (0.42) AVPR2AVPR1AAVPR1BADRA1DADRA1A
SCHEMBL7339346 0.94 AVPR2 (0.42) AVPR2AVPR1AAVPR1BADRA1DADRA1A
SCHEMBL7999262 0.94 AVPR2 (0.42) AVPR2AVPR1AAVPR1BADRA1DADRA1A
Hydrochloric Acid SCHEMBL7773784 0.93 AVPR2 (0.42) AVPR2AVPR1AAVPR1BADRA1DADRA1A
SCHEMBL7340224 0.93 AVPR2 (0.46) AVPR2AVPR1AAVPR1BADRA1DADRA1A
Hydrochloric Acid SCHEMBL7335182 0.93 AVPR2 (0.42) AVPR2AVPR1AAVPR1BADRA1DADRA1A
Hydrochloric Acid SCHEMBL7345642 0.93 AVPR2 (0.42) AVPR2AVPR1AAVPR1BADRA1DADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832061-B1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2001-09-05 EP disclosed
US-6054457-A Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-04-25 US disclosed
WO-1996041795-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-12-27 WO disclosed