SCHEMBL6993148

SCHEMBL6993148

O=C(Nc1ccc(C(=O)N2Cc3cccn3Cc3ccccc32)c(Br)c1)c1ccccc1-c1ccccn1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 10/20 0.66
AVPR1A P37288 10/20 0.66

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
SCHEMBL5738858 0.88 AVPR2 (0.63) AVPR2AVPR1A
SCHEMBL6994184 0.86 AVPR2 (0.68) AVPR2AVPR1A
SCHEMBL6993875 0.83 AVPR2 (0.55) AVPR2AVPR1A
SCHEMBL5739250 0.81
SCHEMBL7001141 0.81 AVPR2 (0.89) AVPR2AVPR1A
SCHEMBL6996085 0.81 AVPR2 (0.48) AVPR2AVPR1A
SCHEMBL5738817 0.80 AVPR2 (1.00) AVPR2AVPR1A
SCHEMBL7002910 0.79 AVPR2 (0.80) AVPR2AVPR1A
SCHEMBL7453095 0.79 AVPR2 (0.85) AVPR2AVPR1A
SCHEMBL6999482 0.79 AVPR2 (0.71) 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-1021444-B1 3-CARBOXAMIDE DERIVATIVES OF 5H-PYRROLO[2,1-c][1,4]-BENZODIAZEPINES WYETH CORP (US) 2003-09-24 EP disclosed