SCHEMBL30602918

SCHEMBL30602918

O=C1CCC(N2C(=O)c3ccc(N4CCC5(CCN(CC6CCNC6)CC5)CC4)cc3C2=O)C(=O)N1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 17/20 0.63
▸ AR P10275 3/20 0.48
▸ DDB1 Q16531 9/20 0.48
▸ ALDH1A1 P00352 1/20 0.46
▸ CHRM2 P08172 1/20 0.46
▸ OPRM1 P35372 1/20 0.46
▸ IKZF3 Q9UKT9 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ ALK Q9UM73 1/20 0.45
▸ BTK Q06187 1/20 0.44

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
SCHEMBL24480407 1.00 CRBN (0.63) CRBNARDDB1ALDH1A1CHRM2
SCHEMBL24481028 0.95 CRBN (0.65) CRBNARDDB1ALDH1A1CHRM2
SCHEMBL30602900 0.95 CRBN (0.65) CRBNARDDB1ALDH1A1CHRM2
SCHEMBL24480592 0.94 CRBN (0.66) CRBNARDDB1ALDH1A1CHRM2
SCHEMBL20234536 0.93 CRBN (0.67) CRBNARDDB1ALDH1A1CHRM2
SCHEMBL29132171 0.93 CRBN (0.67) CRBNARDDB1ALDH1A1CHRM2
SCHEMBL29927364 0.93 CRBN (0.67) CRBNARDDB1ALDH1A1CHRM2
SCHEMBL26495659 0.93 CRBN (0.67) CRBNARDDB1ALDH1A1CHRM2
SCHEMBL29927985 0.91 CRBN (0.65) CRBNARDDB1ALDH1A1CHRM2
SCHEMBL29132341 0.91 CRBN (0.65) CRBNARDDB1ALDH1A1CHRM2

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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