SCHEMBL24612132

SCHEMBL24612132

CN(CC1CCCC1)C1N=C(c2ccccc2)c2ccccc2NC1=O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 12/20 0.51
▸ CCKAR P32238 7/20 0.51
▸ MEN1 O00255 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ GABRA1 P14867 2/20 0.45
▸ GABRA5 P31644 2/20 0.45
▸ GABRA3 P34903 2/20 0.45
▸ GABRA2 P47869 2/20 0.45
▸ GABRB2 P47870 2/20 0.45
▸ GABRG2 P18507 1/20 0.45
▸ GABRB3 P28472 1/20 0.45
▸ CHRM1 P11229 1/20 0.44
▸ HDAC1 Q13547 1/20 0.43
▸ BACE1 P56817 1/20 0.42

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
SCHEMBL24612125 0.88 CCKBR (0.52) CCKBRCCKARMEN1ALDH1A1KMT2A
SCHEMBL24612142 0.83 CCKBR (0.48) CCKBRCCKARMEN1ALDH1A1KMT2A
SCHEMBL24611851 0.79 CCKBR (0.53) CCKBRCCKARMEN1ALDH1A1KMT2A
SCHEMBL24612375 0.77 CCKBR (0.51) CCKBRCCKARMEN1ALDH1A1KMT2A
SCHEMBL24611848 0.75 CCKBR (0.48) CCKBRCCKARMEN1ALDH1A1KMT2A
SCHEMBL3143162 0.72 GABRA1 (0.71) CCKBRCCKARMEN1ALDH1A1KMT2A
SCHEMBL3416882 0.72 GABRA1 (0.71) CCKBRCCKARMEN1ALDH1A1KMT2A
SCHEMBL3417103 0.72 GABRA1 (0.71) CCKBRCCKARMEN1ALDH1A1KMT2A
SCHEMBL24612093 0.72 CCKBR (0.42) CCKBRCCKARMEN1ALDH1A1KMT2A
SCHEMBL24612157 0.71 CCKBR (0.42) 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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