SCHEMBL8557853

SCHEMBL8557853

CC(C)COc1ccccc1C(=O)Nc1ccc(C(=O)N2Cc3ccccc3Cc3ccccc32)cc1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 5/20 0.55
AVPR1A P37288 5/20 0.55
ACHE P22303 1/20 0.49
OXTR P30559 1/20 0.47

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
SCHEMBL8558555 0.82 AVPR2 (0.55) AVPR2AVPR1AACHE
SCHEMBL8560800 0.81 AVPR2 (0.79) AVPR2AVPR1AOXTR
SCHEMBL8558993 0.79 AVPR2 (0.65) AVPR2AVPR1A
SCHEMBL8558316 0.79 AVPR2 (0.61) AVPR2AVPR1AOXTR
SCHEMBL8556275 0.79 AVPR2 (0.69) AVPR2AVPR1AOXTR
SCHEMBL8561617 0.79 AVPR2 (0.60) AVPR2AVPR1AACHEOXTR
SCHEMBL8557743 0.78 AVPR2 (0.64) AVPR2AVPR1AACHE
SCHEMBL8560873 0.78 ACHE (0.60) AVPR2AVPR1AACHE
SCHEMBL7369344 0.77 AVPR2 (0.70) AVPR2AVPR1AOXTR
SCHEMBL8561595 0.77 ACHE (0.61) AVPR2AVPR1AACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0640592-B1 N-acylated tricyclic azaheterorings useful as vasopressin antagonists AMERICAN CYANAMID CO (US) 1998-12-30 EP disclosed