SCHEMBL24790325

SCHEMBL24790325

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

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 11/20 0.39
▸ DRD4 P21917 5/20 0.37
▸ DRD3 P35462 3/20 0.37
▸ ADRA1A P35348 3/20 0.36
▸ HDAC1 Q13547 1/20 0.35
▸ IKZF2 Q9UKS7 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ CACNA1I Q9P0X4 1/20 0.34
▸ CHRNA7 P36544 1/20 0.34
▸ CCR5 P51681 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
SCHEMBL24790866 0.92 DRD2 (0.39) DRD2ADRA1AHDAC1CCR5
SCHEMBL24790924 0.87 KDM4E (0.38) DRD4IKZF2CACNA1ICCR5
SCHEMBL24790326 0.84 IKZF1 (0.43) DRD2ADRA1AHDAC1IKZF2CCR5
SCHEMBL25618774 0.83 IKZF2 (0.32) IKZF2KCNH2
SCHEMBL25625115 0.83 AKT1 (0.36) DRD2HDAC1KCNH2CCR5
SCHEMBL25619901 0.83 IKZF1 (0.35) DRD2DRD4DRD3CCR5
SCHEMBL24789054 0.82 DRD4 (0.32) DRD2DRD4DRD3
SCHEMBL24790875 0.82 PRKAA2 (0.35) —
SCHEMBL24790237 0.82 HRH3 (0.37) DRD2DRD4DRD3
SCHEMBL25993223 0.82 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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