SCHEMBL25036801

SCHEMBL25036801

O=C(O)CN1CCC(n2c(=O)n(C3CCC(=O)NC3=O)c3ccccc32)CC1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 17/20 0.57
▸ DDB1 Q16531 16/20 0.57
▸ IKZF3 Q9UKT9 2/20 0.43
▸ OPRM1 P35372 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ CHRM2 P08172 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ OPRL1 P41146 2/20 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
SCHEMBL25036211 0.85 DDB1 (0.53) CRBNDDB1OPRM1OPRL1
SCHEMBL20845888 0.84 CRBN (0.72) CRBNDDB1IKZF3OPRM1ALDH1A1
SCHEMBL25036213 0.80 CRBN (0.66) CRBNDDB1IKZF3OPRM1ALDH1A1
SCHEMBL27452843 0.79 CRBN (0.45) CRBNDDB1IKZF3OPRM1ALDH1A1
SCHEMBL23540197 0.79 DDB1 (0.55) CRBNDDB1IKZF3
SCHEMBL25036235 0.78 DDB1 (0.55) CRBNDDB1OPRM1
SCHEMBL23540165 0.77 DDB1 (0.56) CRBNDDB1
SCHEMBL23540460 0.77 DDB1 (0.56) CRBNDDB1
SCHEMBL23540806 0.77 DDB1 (0.56) CRBNDDB1
Hydrochloric Acid SCHEMBL30258255 0.76 DDB1 (0.56) CRBNDDB1

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-2023019166-A1 PROTEIN TYROSINE PHOSPHATASE TARGETING LIGANDS CALICO LIFE SCIENCES LLC (US) 2023-02-16 — — WO disclosed
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