SCHEMBL21471608

SCHEMBL21471608

Cc1cnc(N2CC3(CCOCC3)C2)c(C(=O)Nc2ccc(C(=O)N3CCc4cc(C(=O)c5nc(C)c(C)n5SF)sc4-c4ccc(F)cc43)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 9/20 0.37
PDE4B Q07343 1/20 0.32
AVPR1A P37288 6/20 0.31

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
SCHEMBL21471793 0.88 AVPR2 (0.40) AVPR2AVPR1A
SCHEMBL21471607 0.88 AVPR2 (0.35) AVPR2AVPR1A
SCHEMBL20619707 0.88 AVPR2 (0.42) AVPR2PDE4BAVPR1A
SCHEMBL21471685 0.88 AVPR2 (0.38) AVPR2AVPR1A
SCHEMBL21471682 0.88 AVPR2 (0.39) AVPR2PDE4BAVPR1A
SCHEMBL20619508 0.87 AVPR2 (0.41) AVPR2AVPR1A
SCHEMBL20620181 0.87 AVPR2 (0.41) AVPR2AVPR1A
SCHEMBL20622262 0.87 AVPR2 (0.39) AVPR2AVPR1A
SCHEMBL21471782 0.87 AVPR2 (0.40) AVPR2AVPR1A
SCHEMBL20619509 0.86 AVPR2 (0.43) AVPR2PDE4BAVPR1A

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
WO-2019199908-A1 HETEROCYCLIC COMPOUNDS AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2019-10-17 WO disclosed