SCHEMBL23739588

SCHEMBL23739588

O=C1CCC(N2Cc3c(CCCCN4CCN(c5cccc(Cl)c5Cl)CC4)cccc3C2=O)C(=O)N1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 14/20 0.52
▸ IKZF3 Q9UKT9 12/20 0.52
▸ DRD2 P14416 6/20 0.50
▸ DRD3 P35462 4/20 0.50
▸ DRD4 P21917 3/20 0.50
▸ HTR1A P08908 2/20 0.49
▸ HTR2A P28223 2/20 0.49
▸ DDB1 Q16531 5/20 0.48
▸ TNF P01375 2/20 0.48
▸ IKZF1 Q13422 2/20 0.48
▸ BRD4 O60885 1/20 0.48
▸ IL1B P01584 1/20 0.48
▸ ADRA1D P25100 2/20 0.48
▸ ADRA1A P35348 2/20 0.48
▸ ADRA1B P35368 2/20 0.48
▸ DRD1 P21728 2/20 0.48
▸ CSNK1A1 P48729 1/20 0.47
▸ HTR3E A5X5Y0 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ MLNR O43193 1/20 0.47

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
SCHEMBL21848747 0.99 CRBN (0.52) CRBNIKZF3DRD2DRD3DRD4
SCHEMBL21848724 0.99 CRBN (0.52) CRBNIKZF3DRD2DRD3DRD4
SCHEMBL21848649 0.95 CRBN (0.54) CRBNIKZF3DRD2DDB1TNF
SCHEMBL21848735 0.91 CRBN (0.53) CRBNIKZF3DRD2DDB1TNF
SCHEMBL21848659 0.90 CRBN (0.52) CRBNIKZF3DRD2DDB1TNF
SCHEMBL31338076 0.90 CRBN (0.60) CRBNIKZF3DRD2DDB1TNF
SCHEMBL21848644 0.90 CRBN (0.65) CRBNIKZF3DRD2DDB1ADRA1D
SCHEMBL21848666 0.89 CRBN (0.65) CRBNIKZF3DRD2DDB1ADRA1D
SCHEMBL21848663 0.89 CRBN (0.58) CRBNIKZF3DRD2DDB1TNF
SCHEMBL30388965 0.89 CRBN (0.58) CRBNIKZF3DRD2DDB1TNF

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-3862348-A1 ISOINDOLINE COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2021-08-11 — — EP disclosed
Send feedback