SCHEMBL29991526

SCHEMBL29991526

COc1ccc2[nH]c(=O)n(C)c2c1N1CCC(N(C)CC2CCNCC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ ALK Q9UM73 1/20 0.32
▸ TLR9 Q9NR96 1/20 0.32
▸ TLR8 Q9NR97 1/20 0.32
▸ TLR7 Q9NYK1 1/20 0.32
▸ HTR7 P34969 3/20 0.31
▸ JAK1 P23458 1/20 0.31
▸ NR3C1 P04150 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HTR1A P08908 2/20 0.31
▸ HTR6 P50406 1/20 0.30
▸ PLAT P00750 1/20 0.30
▸ HTR2A P28223 1/20 0.30
▸ HTR2C P28335 1/20 0.30
▸ ADRA2A P08913 1/20 0.30
▸ DRD2 P14416 1/20 0.30
▸ ADRA2B P18089 1/20 0.30
▸ DRD3 P35462 1/20 0.30

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
SCHEMBL25123090 0.76 DDB1 (0.44) —
SCHEMBL29751443 0.76 AAK1 (0.39) ALKHTR6
SCHEMBL24607488 0.76 AAK1 (0.39) ALKHTR6
SCHEMBL24847992 0.74 HTR7 (0.33) HTR7NR3C1HTR1AADRA2ADRD2
SCHEMBL30180044 0.71 HTR7 (0.37) HTR7HTR1AADRA2ADRD2ADRA2B
SCHEMBL24846895 0.66 GPR119 (0.42) —
Hydrochloric Acid SCHEMBL8477900 0.65 ITGB3 (0.45) CYP2D6HRH1KCNH2TDP1
Hydrochloric Acid SCHEMBL8474391 0.64 MAPT (0.44) CYP2D6HRH1KCNH2TDP1
SCHEMBL29751429 0.64 SPR (0.38) JAK1NR3C1
SCHEMBL24607801 0.64 SPR (0.38) JAK1NR3C1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4334307-A1 CDK2 DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2024-03-13 — — EP disclosed
WO-2022236058-A1 CDK2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2022-11-10 — — WO disclosed
Send feedback