SCHEMBL8313261

SCHEMBL8313261

Cc1cc(C(=O)N2Cc3cccn3Cc3ccccc32)ccc1NC(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 9/20 0.67
AVPR1A P37288 9/20 0.67

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
SCHEMBL8317049 0.92 AVPR2 (0.70) AVPR2AVPR1A
SCHEMBL7331851 0.91 AVPR2 (0.72) AVPR2AVPR1A
SCHEMBL8317025 0.89 AVPR2 (0.75) AVPR2AVPR1A
SCHEMBL8317804 0.88 AVPR1A (0.65) AVPR2AVPR1A
SCHEMBL7337720 0.87 AVPR2 (0.70) AVPR2AVPR1A
SCHEMBL8313226 0.87 AVPR2 (0.70) AVPR2AVPR1A
SCHEMBL7333936 0.87 AVPR2 (0.81) AVPR2AVPR1A
SCHEMBL8312651 0.87 AVPR2 (0.72) AVPR2AVPR1A
SCHEMBL7340028 0.86 AVPR2 (0.70) AVPR2AVPR1A
SCHEMBL8316343 0.86 AVPR2 (0.68) AVPR2AVPR1A

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-0636625-B1 Tricyclic diazepines vasopressin and oxytocin antagonists AMERICAN CYANAMID CO (US) 1999-01-27 EP disclosed