SCHEMBL22557788

SCHEMBL22557788

O=C1CCC(n2cnc3cc(N4CC5(CCNCC5)C4)ccc3c2=O)C(=O)N1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 16/20 0.49
▸ DDB1 Q16531 14/20 0.49
▸ IKZF3 Q9UKT9 4/20 0.49
▸ NTRK1 P04629 1/20 0.39
▸ CSF1R P07333 1/20 0.39
▸ NTRK2 Q16620 1/20 0.39
▸ USP2 O75604 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ TP53 P04637 2/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP2D6 P10635 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ HSD17B10 Q99714 2/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ TSHR P16473 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL22556796 0.81 DDB1 (0.44) CRBNDDB1IKZF3
SCHEMBL22557583 0.81 CRBN (0.41) CRBNDDB1IKZF3
SCHEMBL31612876 0.77 CRBN (0.66) CRBNDDB1IKZF3ALDH1A1CYP1A2
SCHEMBL3654403 0.77 CRBN (0.57) CRBNDDB1IKZF3ALDH1A1
SCHEMBL19586175 0.77 CRBN (0.76) CRBNDDB1IKZF3
SCHEMBL3655337 0.77 CRBN (0.57) CRBNDDB1IKZF3ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL31554731 0.77 CRBN (0.57) CRBNDDB1IKZF3ALDH1A1
SCHEMBL30702624 0.76 CRBN (0.55) CRBNDDB1IKZF3USP2ALDH1A1
SCHEMBL24132069 0.74 CRBN (0.54) CRBNDDB1IKZF3ALDH1A1CYP1A2
SCHEMBL16221485 0.74 CRBN (0.56) CRBNDDB1IKZF3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020211822-A1 A CLASS OF BIFUNCTIONAL CHIMERIC HETEROCYCLIC COMPOUNDS FOR TARGETED DEGRADATION OF ANDROGEN RECEPTORS AND USE THEREOF 成都海创药业有限公司 2020-10-22 — — WO disclosed
WO-2020211822-A1 A CLASS OF BIFUNCTIONAL CHIMERIC HETEROCYCLIC COMPOUNDS FOR TARGETED DEGRADATION OF ANDROGEN RECEPTORS AND USE THEREOF 成都海创药业有限公司 2020-10-22 — — WO disclosed
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