SCHEMBL21947720

SCHEMBL21947720

CC1(C)CCN(C(=O)CCCN2CCNCC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.41
GNAI3 P08754 4/20 0.40
GNAO1 P09471 4/20 0.40
GNAI1 P63096 4/20 0.40
ATM Q13315 1/20 0.38
ITGB3 P05106 3/20 0.38
ITGA2B P08514 3/20 0.38
CXCR4 P61073 2/20 0.38
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
HTR1A P08908 1/20 0.37
HTR7 P34969 1/20 0.37
NPC1 O15118 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36

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
SCHEMBL21946392 0.86 KDM1A (0.39) KDM1AGNAI3GNAO1GNAI1ATM
SCHEMBL21947714 0.84 PAOX (0.47) KDM1AGNAI3GNAO1GNAI1ATM
SCHEMBL24220815 0.81 GAA (0.44) ALDH1A1MAPTLMNA
SCHEMBL24926155 0.79 HTR7 (0.38) GNAI3GNAO1GNAI1ATMHTR1A
SCHEMBL11490504 0.78 CYP1A2 (0.55) KDM1AATMCXCR4ALDH1A1MAPT
SCHEMBL14417850 0.75 ATM (0.47) GNAI3GNAO1GNAI1ATMITGB3
SCHEMBL11489916 0.75 KDM1A (0.48) KDM1AATMITGB3ITGA2BCXCR4
SCHEMBL4236957 0.73 PAOX (0.56) CXCR4ALDH1A1LMNANPC1HRH2
SCHEMBL19047579 0.73 KDM1A (0.52) KDM1AGNAI3GNAO1GNAI1ATM
SCHEMBL8185716 0.72 PHGDH (0.47) KDM1AGNAI3GNAO1GNAI1ITGB3

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
WO-2021113557-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK VIA UBIQUITIN PROTEOSOME PATHWAY NURIX THERAPEUTICS, INC. (US) 2021-06-10 WO disclosed
WO-2020081450-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK VIA UBIQUITIN PROTEOSOME PATHWAY NURIX THERAPEUTICS, INC. (US) 2020-04-23 WO disclosed