SCHEMBL6446583

SCHEMBL6446583

Cc1cc(C(=O)N2CCCCc3sccc32)ccc1C(NC=O)N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 8/20 0.44
AVPR1B P47901 7/20 0.44
AVPR2 P30518 12/20 0.41
OXTR P30559 5/20 0.41
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL4835894 0.83 AVPR1A (0.45) AVPR1AAVPR1BAVPR2OXTRLMNA
SCHEMBL4835899 0.78 AVPR2 (0.60) AVPR2OXTR
SCHEMBL6203310 0.69 AVPR1A (0.60) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL4837451 0.67 AVPR1A (0.54) AVPR1AAVPR1BAVPR2OXTRMEN1
Hydrochloric Acid SCHEMBL5236127 0.66 AVPR2 (0.56) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL6987073 0.63 AVPR1A (0.80) AVPR1AAVPR1BAVPR2OXTRKMT2A
SCHEMBL8368994 0.63 AVPR2 (0.61) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL6202295 0.63 AVPR1A (0.46) AVPR1AAVPR1BAVPR2OXTR
Hydrochloric Acid SCHEMBL4828748 0.62 AVPR2 (0.61) AVPR1AAVPR1BAVPR2OXTR
SCHEMBL8797250 0.62 AVPR1A (0.80) AVPR1AAVPR1BAVPR2OXTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1592693-A1 BENZAMIDE DERIVATIVES AS OXYTOCIN AGONISTS AND VASOPRESSIN ANTAGONISTS Ferring B.V. (NL) 2005-11-09 EP disclosed
WO-2004072083-A1 BENZAMIDE DERIVATIVES AS OXYTOCIN AGONISTS AND VASOPRESSIN ANTAGONISTS FERRING B.V. (NL) 2004-08-26 WO disclosed