SCHEMBL21771313

SCHEMBL21771313

C=C1CCC(N2C(=O)c3ccc(N4CCN(N)CC4)cc3C2=O)C(=O)N1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 17/20 0.65
▸ DDB1 Q16531 11/20 0.50
▸ IKZF3 Q9UKT9 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ CHRM2 P08172 1/20 0.45
▸ OPRM1 P35372 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ IKZF1 Q13422 2/20 0.41
▸ TNF P01375 1/20 0.41
▸ IL1B P01584 1/20 0.41
▸ TBXA2R P21731 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ HPGDS O60760 1/20 0.41

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
SCHEMBL21771314 0.89 CRBN (0.65) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL27099517 0.87 CRBN (0.65) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL26375266 0.86 CRBN (0.61) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL27099506 0.86 CRBN (0.61) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL27099498 0.84 CRBN (0.59) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL25027210 0.84 CRBN (0.61) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL27099504 0.84 CRBN (0.61) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL27099503 0.84 CRBN (0.61) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL25691407 0.83 CRBN (0.55) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL27099494 0.82 CRBN (0.59) CRBNDDB1IKZF3ALDH1A1CHRM2

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
WO-2020041331-A1 PROTEOLYSIS TARGETING CHIMERIC (PROTAC) COMPOUND WITH E3 UBIQUITIN LIGASE BINDING ACTIVITY AND TARGETING ALPHA-SYNUCLEIN PROTEIN FOR TREATING NEURODEGENERATIVE DISEASES ARVINAS OPERATIONS, INC. (US) 2020-02-27 — — WO disclosed
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