SCHEMBL7340231

SCHEMBL7340231

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCCN(C)CC2)ccc1NC(=O)c1ccccc1OCCCN

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 7/20 0.45
AVPR1A P37288 6/20 0.45
AVPR1B P47901 5/20 0.45
POLB P06746 2/20 0.37
MAP3K7 O43318 2/20 0.36
BRPF1 P55201 2/20 0.36
BRD4 O60885 1/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36

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
Hydrochloric Acid SCHEMBL7348666 0.99 AVPR2 (0.44) AVPR2AVPR1AAVPR1BPOLBMAP3K7
SCHEMBL7336265 0.97 AVPR2 (0.42) AVPR2AVPR1AAVPR1BMAP3K7BRPF1
Hydrochloric Acid SCHEMBL7345642 0.97 AVPR2 (0.42) AVPR2AVPR1AAVPR1BMAP3K7BRPF1
Hydrochloric Acid SCHEMBL7773784 0.97 AVPR2 (0.42) AVPR2AVPR1AAVPR1BMAP3K7BRPF1
SCHEMBL7336166 0.96 AVPR2 (0.42) AVPR2AVPR1AAVPR1BMAP3K7BRPF1
Hydrochloric Acid SCHEMBL7335182 0.95 AVPR2 (0.42) AVPR2AVPR1AAVPR1BMAP3K7BRPF1
Sulfuric Acid SCHEMBL7344173 0.95 AVPR2 (0.41) AVPR2AVPR1AAVPR1BMAP3K7BRPF1
Cadaverine Tartrate SCHEMBL7347950 0.93 AVPR2 (0.41) AVPR2AVPR1AAVPR1BMAP3K7BRPF1
SCHEMBL7338927 0.93 AVPR2 (0.39) AVPR2AVPR1AAVPR1BMAP3K7
Hydrochloric Acid SCHEMBL7340973 0.92 AVPR2 (0.39) AVPR2AVPR1AAVPR1BMAP3K7

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