SCHEMBL6628729

SCHEMBL6628729

COC(=O)CC(=O)NCc1ccc(C(=O)N2CCCCc3ccccc32)c(C)c1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 15/20 0.57
LMNA P02545 2/20 0.51
THRB P10828 1/20 0.51

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
SCHEMBL6627425 0.84 AVPR2 (0.80) AVPR2
SCHEMBL6627342 0.83 AVPR2 (0.74) AVPR2
SCHEMBL5232071 0.80 AVPR2 (0.85) AVPR2
Hydrochloric Acid SCHEMBL5232520 0.79 AVPR2 (0.57) AVPR2
SCHEMBL6627349 0.79 AVPR2 (0.49) AVPR2
SCHEMBL6629413 0.79 AVPR2 (0.36) AVPR2LMNATHRB
SCHEMBL5234519 0.77 AVPR2 (0.77) AVPR2
SCHEMBL6625979 0.77 AVPR2 (0.81) AVPR2
SCHEMBL4932308 0.76 AVPR2 (0.78) AVPR2
SCHEMBL5232674 0.75 AVPR2 (0.75) AVPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1226122-B1 BICYCLIC VASOPRESSIN AGONISTS FERRING BV (NL) 2004-12-15 EP claimed
US-6664249-B1 Such as 1-(4-(N-(4-methoxy-4-oxobutanoyl)aminomethyl)-3-methylbenzoyl)-2, 3,4,5-tetrahydro-1H-1-benzazepine; polyuria FERRING BV (NL) 2003-12-16 US claimed
EP-1226122-A1 BICYCLIC VASOPRESSIN AGONISTS Ferring BV (NL) 2002-07-31 EP claimed
WO-2001029005-A1 BICYCLIC VASOPRESSIN AGONISTS FERRING BV (NL) 2001-04-26 WO claimed
EP-1226122-B1 BICYCLIC VASOPRESSIN AGONISTS FERRING BV (NL) 2004-12-15 EP disclosed
US-6664249-B1 Such as 1-(4-(N-(4-methoxy-4-oxobutanoyl)aminomethyl)-3-methylbenzoyl)-2, 3,4,5-tetrahydro-1H-1-benzazepine; polyuria FERRING BV (NL) 2003-12-16 US disclosed
EP-1226122-A1 BICYCLIC VASOPRESSIN AGONISTS Ferring BV (NL) 2002-07-31 EP disclosed
WO-2001029005-A1 BICYCLIC VASOPRESSIN AGONISTS FERRING BV (NL) 2001-04-26 WO disclosed