SCHEMBL8556852

SCHEMBL8556852

O=C(Nc1ccc(C(=O)N2Cc3ccccc3CCc3ccccc32)cc1)c1ccccc1F

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 5/20 0.59
AVPR2 P30518 3/20 0.58
OXTR P30559 2/20 0.57

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
SCHEMBL8558525 0.87 AVPR1A (0.58) AVPR1AAVPR2OXTR
SCHEMBL8561006 0.87 AVPR2 (0.75) AVPR1AAVPR2OXTR
SCHEMBL7335198 0.87 AVPR1A (0.55) AVPR1AAVPR2OXTR
SCHEMBL8559866 0.84 AVPR2 (0.65) AVPR1AAVPR2OXTR
SCHEMBL8562440 0.84 AVPR2 (0.54) AVPR1AAVPR2OXTR
SCHEMBL8561617 0.84 AVPR2 (0.60) AVPR1AAVPR2OXTR
SCHEMBL8558825 0.84 AVPR1A (0.53) AVPR1AAVPR2
SCHEMBL8559764 0.83 AVPR2 (0.73) AVPR1AAVPR2OXTR
SCHEMBL8564269 0.82 AVPR2 (0.61) AVPR1AAVPR2OXTR
SCHEMBL7335347 0.82 AVPR2 (0.74) AVPR1AAVPR2

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-0640592-B1 N-acylated tricyclic azaheterorings useful as vasopressin antagonists AMERICAN CYANAMID CO (US) 1998-12-30 EP disclosed
EP-0640592-A1 N-acylated tricyclic azaheterorings useful as vasopressin antagonists AMERICAN CYANAMID COMPANY (US) 1995-03-01 EP disclosed