SCHEMBL25619901

SCHEMBL25619901

C=CCCC(C(=C)NC)N1Cc2cc(C3CCN(Cc4cccc(C)c4)CC3)ccc2C1=C

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ IKZF1 Q13422 2/20 0.35
▸ CXCR4 P61073 2/20 0.35
▸ DRD2 P14416 4/20 0.35
▸ DRD4 P21917 3/20 0.34
▸ ACHE P22303 1/20 0.34
▸ BACE1 P56817 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CCR5 P51681 1/20 0.34
▸ BCHE P06276 1/20 0.33
▸ PARP1 P09874 1/20 0.33
▸ PARP2 Q9UGN5 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
SCHEMBL25625115 0.88 AKT1 (0.36) IKZF1DRD2MEN1KMT2ACCR5
SCHEMBL24790875 0.85 PRKAA2 (0.35) ACHE
SCHEMBL24790325 0.83 DRD2 (0.39) DRD2DRD4DRD3CCR5
SCHEMBL24790924 0.80 KDM4E (0.38) CXCR4DRD4KMT2ACCR5PARP1
SCHEMBL20936104 0.80 — —
SCHEMBL24790272 0.80 IKZF1 (0.35) IKZF1DRD2
SCHEMBL24791545 0.79 IKZF2 (0.38) IKZF1DRD2
SCHEMBL24790866 0.79 DRD2 (0.39) DRD2ACHECCR5BCHE
SCHEMBL25625082 0.78 IKZF1 (0.43) IKZF1DRD2MEN1KMT2ACCR5
SCHEMBL25624857 0.77 IKZF2 (0.42) IKZF1DRD2CCR5

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-4183782-A1 3-(1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DI ONE DERIVATIVES AND USES THEREOF Novartis AG (CH) 2023-05-24 — — EP disclosed
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