SCHEMBL8558525

SCHEMBL8558525

O=C(Nc1ccc(C(=O)N2Cc3ccccc3CCc3ccccc32)cc1)c1ccccc1Cl

nearest known ligand 0.77

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 5/20 0.58
AVPR2 P30518 4/20 0.58
OXTR P30559 1/20 0.57
AVPR1B P47901 1/20 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
SCHEMBL8562440 0.93 AVPR2 (0.54) AVPR1AAVPR2OXTR
SCHEMBL8558993 0.91 AVPR2 (0.65) AVPR1AAVPR2
SCHEMBL8562180 0.89 AVPR2 (0.72) AVPR1AAVPR2
SCHEMBL7340204 0.87 AVPR1A (0.55) AVPR1AAVPR2AVPR1B
SCHEMBL8561006 0.87 AVPR2 (0.75) AVPR1AAVPR2OXTR
SCHEMBL8556852 0.87 AVPR1A (0.59) AVPR1AAVPR2OXTR
SCHEMBL7356474 0.86 AVPR1A (0.77) AVPR1AAVPR2OXTRAVPR1B
SCHEMBL8556841 0.84 AVPR2 (0.65) AVPR1AAVPR2
SCHEMBL8561438 0.84 AVPR2 (0.59) AVPR1AAVPR2
SCHEMBL8559866 0.84 AVPR2 (0.65) AVPR1AAVPR2OXTR

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