SCHEMBL7487403

SCHEMBL7487403

COCc1nc2c(NC(=O)c3ccc(C(=O)N(C)c4ccc(C)cc4OCCCCCC(=O)N4CCN(C)CC4)cc3OC)cccc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGES O14684 15/20 0.39

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 SCHEMBL7975650 0.99 PTGES (0.38) PTGES
SCHEMBL7962166 0.95 AVPR2 (0.35) PTGES
SCHEMBL7964672 0.95 HDAC3 (0.35) PTGES
Hydrochloric Acid SCHEMBL7972101 0.94 AVPR2 (0.35) PTGES
SCHEMBL7972117 0.94 AVPR2 (0.34) PTGES
Hydrochloric Acid SCHEMBL7963053 0.94 HDAC3 (0.35) PTGES
SCHEMBL7483624 0.94 HDAC3 (0.35) PTGES
Hydrochloric Acid SCHEMBL7968967 0.94 AVPR2 (0.34) PTGES
SCHEMBL7430655 0.94 MAP3K7 (0.34)
SCHEMBL7967811 0.94 AVPR2 (0.34)

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
US-6207693-B1 Benzamide derivatives having a vasopressin antagonistic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-27 US disclosed
EP-0946519-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-06 EP disclosed
WO-1998024771-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-11 WO disclosed