SCHEMBL30602888

SCHEMBL30602888

O=C1CCC(N2C(=O)c3cc(F)c(N4CCC(C5CCN(CC6CCNCC6)CC5)CC4)cc3C2=O)C(=O)N1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 17/20 0.62
▸ DDB1 Q16531 9/20 0.47
▸ AR P10275 2/20 0.46
▸ IKZF3 Q9UKT9 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ CHRM2 P08172 1/20 0.42
▸ OPRM1 P35372 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL24480523 1.00 CRBN (0.62) CRBNDDB1ARIKZF3ALDH1A1
SCHEMBL31605515 0.94 CRBN (0.68) CRBNDDB1ARIKZF3ALDH1A1
SCHEMBL23173202 0.94 CRBN (0.68) CRBNDDB1ARIKZF3ALDH1A1
Trifluoroacetic Acid SCHEMBL29578707 0.93 CRBN (0.55) CRBNDDB1ARIKZF3
Hydrochloric Acid SCHEMBL29096736 0.93 CRBN (0.67) CRBNDDB1ARIKZF3ALDH1A1
Hydrochloric Acid SCHEMBL29710636 0.93 CRBN (0.67) CRBNDDB1ARIKZF3ALDH1A1
SCHEMBL31447949 0.92 CRBN (0.66) CRBNDDB1ARIKZF3ALDH1A1
SCHEMBL24480517 0.91 CRBN (0.72) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL23173078 0.87 CRBN (0.64) CRBNDDB1ARIKZF3ALDH1A1
SCHEMBL29710570 0.87 CRBN (0.64) CRBNDDB1ARIKZF3ALDH1A1

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
CN-116529248-A Benzene ring derivative, composition and pharmaceutical application thereof 四川海思科制药有限公司 2023-08-01 — — CN disclosed
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