SCHEMBL24612178

SCHEMBL24612178

O=C1Nc2ccccc2C(c2ccccc2)=NC1Nc1nnc(-c2cnc(N3CC4CC(C3)O4)nc2)o1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CBLB Q13191 11/20 0.42
CCKBR P32239 6/20 0.41
CCKAR P32238 5/20 0.41

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
SCHEMBL20098297 0.96 CBLB (0.41) CBLBCCKBRCCKAR
SCHEMBL24611934 0.88 CBLB (0.51) CBLBCCKBRCCKAR
SCHEMBL20098488 0.88 CBLB (0.51) CBLBCCKBRCCKAR
SCHEMBL21755181 0.83 CCKBR (0.54) CCKBRCCKAR
SCHEMBL20098042 0.83 CCKBR (0.54) CCKBRCCKAR
SCHEMBL20098177 0.82 CBLB (0.41) CBLBCCKBRCCKAR
SCHEMBL21755202 0.82 CBLB (0.41) CBLBCCKBRCCKAR
SCHEMBL21755270 0.82 CCKBR (0.44) CBLBCCKBRCCKAR
SCHEMBL24612226 0.82 CCKBR (0.44) CBLBCCKBRCCKAR
SCHEMBL20098409 0.81 CCKBR (0.48) CCKBRCCKAR

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-3324977-B1 BENZODIAZEPINE DERIVATIVES AS RSV INHIBITORS ENANTA PHARM INC (US) 2022-07-13 EP disclosed