SCHEMBL30180044

SCHEMBL30180044

COc1ccc2[nH]c(=O)n(C)c2c1N1CCN(C(C)(C)C)CC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 5/20 0.37
▸ DRD2 P14416 2/20 0.36
▸ HTR1A P08908 1/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ ADRA2B P18089 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ GFER P55789 1/20 0.36
▸ CCR4 P51679 1/20 0.35
▸ BRD4 O60885 3/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ BRPF1 P55201 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL24846895 0.82 GPR119 (0.42) BRD4ALDH1A1MAPTLMNAKMT2A
SCHEMBL24847992 0.78 HTR7 (0.33) HTR7DRD2HTR1AADRA2AADRA2B
SCHEMBL29751443 0.75 AAK1 (0.39) BRD4BRPF1
SCHEMBL24607488 0.75 AAK1 (0.39) BRD4BRPF1
SCHEMBL29991526 0.71 CYP2D6 (0.33) HTR7DRD2HTR1AADRA2AADRA2B
SCHEMBL23832583 0.70 CSNK2A2 (0.42) BRD4ALDH1A1LMNAKMT2A
SCHEMBL14992295 0.70 DAO (0.41) HTR7HTR1ABRD4ALDH1A1LMNA
SCHEMBL25337018 0.67 GPR119 (0.41) ALDH1A1MAPTLMNAKMT2A
SCHEMBL13015476 0.67 CYP19A1 (0.47) HTR7CCR4BRD4ALDH1A1MAPT
SCHEMBL23832667 0.65 MEN1 (0.48) ALDH1A1MAPTLMNAKMT2A

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-2023278759-A1 MK2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-01-05 — — WO disclosed
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