SCHEMBL24612351

SCHEMBL24612351

CC(C)CN(C)c1cc(C(F)(F)F)cnc1CN(C)C1N=C(c2ccccc2)c2ccccc2NC1=O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 9/20 0.43
▸ CCKAR P32238 7/20 0.43
▸ CHRM1 P11229 2/20 0.38
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NOTCH1 P46531 3/20 0.36
▸ RBPJ Q06330 3/20 0.36
▸ BDKRB1 P46663 1/20 0.35

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
SCHEMBL24612409 0.80 CCKBR (0.41) CCKBRCCKARCHRM1MEN1ALDH1A1
SCHEMBL24611903 0.74 CBLB (0.41) CCKBRCCKARMEN1ALDH1A1KMT2A
SCHEMBL24612022 0.72 CCKBR (0.45) CCKBRCCKARCHRM1MEN1ALDH1A1
SCHEMBL24612393 0.70 CCKAR (0.44) CCKBRCCKARMEN1ALDH1A1KMT2A
SCHEMBL24612375 0.69 CCKBR (0.51) CCKBRCCKARCHRM1MEN1ALDH1A1
SCHEMBL20098621 0.68 CCKBR (0.47) CCKBRCCKARNOTCH1RBPJ
SCHEMBL20867311 0.67 CCKBR (0.50) CCKBRCCKARNOTCH1RBPJ
SCHEMBL24611848 0.67 CCKBR (0.48) CCKBRCCKARCHRM1MEN1ALDH1A1
SCHEMBL24611851 0.67 CCKBR (0.53) CCKBRCCKARCHRM1MEN1ALDH1A1
SCHEMBL22440664 0.66 CCKBR (0.49) CCKBRCCKARMEN1ALDH1A1KMT2A

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
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