SCHEMBL24612409

SCHEMBL24612409

CC1CCN(c2cc(C(F)(F)F)cnc2CN(C)C2N=C(c3ccccc3)c3ccccc3NC2=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 7/20 0.41
▸ CCKAR P32238 4/20 0.41
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ BACE1 P56817 1/20 0.36
▸ GABRA1 P14867 1/20 0.35
▸ GABRA5 P31644 1/20 0.35
▸ GABRA3 P34903 1/20 0.35
▸ GABRA2 P47869 1/20 0.35
▸ GABRB2 P47870 1/20 0.35
▸ CHRM1 P11229 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ CBLB Q13191 1/20 0.33

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
SCHEMBL24612351 0.80 CCKBR (0.43) CCKBRCCKARMEN1ALDH1A1KMT2A
SCHEMBL24612393 0.80 CCKAR (0.44) CCKBRCCKARMEN1ALDH1A1KMT2A
SCHEMBL24611903 0.80 CBLB (0.41) CCKBRCCKARMEN1ALDH1A1KMT2A
SCHEMBL24612099 0.76 CBLB (0.41) CCKBRCCKARMEN1ALDH1A1KMT2A
SCHEMBL24612157 0.73 CCKBR (0.42) CCKBRCCKARMEN1ALDH1A1KMT2A
SCHEMBL20474810 0.72 CCKAR (0.44) CCKBRCCKARALDH1A1HPGDCBLB
SCHEMBL24612022 0.71 CCKBR (0.45) CCKBRCCKARMEN1ALDH1A1KMT2A
SCHEMBL20867269 0.71 CCKBR (0.51) CCKBRCCKARCBLB
SCHEMBL20867175 0.71 CCKBR (0.48) CCKBRCCKAR
SCHEMBL20867180 0.71 CCKBR (0.50) 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
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