SCHEMBL24790866

SCHEMBL24790866

C=CCCC(C(=O)NC)N1Cc2cc(C3CCN(Cc4ccc(C(C)C)cc4)CC3)ccc2C1=C

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 6/20 0.39
▸ ADRA1A P35348 3/20 0.38
▸ BCHE P06276 2/20 0.36
▸ CCR5 P51681 2/20 0.36
▸ ACHE P22303 1/20 0.35
▸ FAAH O00519 1/20 0.35
▸ HDAC1 Q13547 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL24790325 0.92 DRD2 (0.39) DRD2ADRA1ACCR5HDAC1
SCHEMBL24790924 0.86 KDM4E (0.38) CCR5ALDH1A1
SCHEMBL24790326 0.82 IKZF1 (0.43) DRD2ADRA1ACCR5HDAC1ALDH1A1
SCHEMBL25618774 0.82 IKZF2 (0.32) —
SCHEMBL25625115 0.81 AKT1 (0.36) DRD2CCR5HDAC1
SCHEMBL24790875 0.81 PRKAA2 (0.35) ACHE
SCHEMBL24789054 0.81 DRD4 (0.32) DRD2
SCHEMBL24790237 0.81 HRH3 (0.37) DRD2
SCHEMBL25619901 0.79 IKZF1 (0.35) DRD2BCHECCR5ACHE
SCHEMBL25986037 0.77 THRB (0.33) —

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-3672949-B1 3-(1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2022-12-21 — — EP disclosed
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