SCHEMBL29841437

SCHEMBL29841437

O=C(O)CCCCCN1CCN(c2ccc3c(c2)CN([C@H]2CCC(=O)NC2=O)C3=O)CC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 10/20 0.54
▸ ESR1 P03372 5/20 0.52
▸ CSNK1A1 P48729 1/20 0.50
▸ IKZF2 Q9UKS7 4/20 0.48
▸ IKZF1 Q13422 1/20 0.47
▸ WIZ O95785 1/20 0.47
▸ CHRM2 P08172 1/20 0.46
▸ CHRM4 P08173 1/20 0.46
▸ CHRM5 P08912 1/20 0.46
▸ CHRM1 P11229 1/20 0.46
▸ CHRM3 P20309 1/20 0.46
▸ METAP2 P50579 1/20 0.46
▸ SLC6A3 Q01959 1/20 0.46
▸ TMEM97 Q5BJF2 1/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.46
▸ GSPT1 P15170 1/20 0.45
▸ DDB1 Q16531 1/20 0.45
▸ IKZF3 Q9UKT9 1/20 0.45

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
SCHEMBL24735220 1.00 CRBN (0.54) CRBNESR1CSNK1A1IKZF2IKZF1
SCHEMBL30822406 1.00 CRBN (0.54) CRBNESR1CSNK1A1IKZF2IKZF1
SCHEMBL27207449 1.00 CRBN (0.54) CRBNESR1CSNK1A1IKZF2IKZF1
SCHEMBL30822469 0.99 CRBN (0.55) CRBNESR1CSNK1A1IKZF2IKZF1
SCHEMBL27207467 0.99 CRBN (0.55) CRBNESR1CSNK1A1IKZF2IKZF1
SCHEMBL24734976 0.99 CRBN (0.55) CRBNESR1CSNK1A1IKZF2IKZF1
SCHEMBL24734973 0.96 CRBN (0.56) CRBNESR1CSNK1A1IKZF2IKZF1
SCHEMBL31586767 0.96 CRBN (0.56) CRBNESR1CSNK1A1IKZF2IKZF1
SCHEMBL30889715 0.93 CRBN (0.54) CRBNESR1CSNK1A1GSPT1
SCHEMBL31586284 0.93 CRBN (0.58) CRBNESR1CSNK1A1IKZF2IKZF1

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-2022169798-A2 SUBSTITUTED PYRROLOPYRIMIDINE AND PYRAZOLOPYRIMIDINE AS BRUTON'S TYROSINE KINASE (BTK) DEGRADERS ACCUTAR BIOTECHNOLOGY, INC. (US) 2022-08-11 — — WO disclosed
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