SCHEMBL25499129

SCHEMBL25499129

CC(=O)N1CCN(C(=O)C2CCN(C)CC2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
HTT P42858 1/20 0.59
LMNA P02545 1/20 0.58
ALDH1A1 P00352 2/20 0.52
TSHR P16473 1/20 0.52
HPGD P15428 1/20 0.47
HSD11B1 P28845 1/20 0.44
NAMPT P43490 1/20 0.44
CHRNB2 P17787 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA4 P43681 1/20 0.44
CHRNB3 Q05901 1/20 0.44
CHRNA6 Q15825 1/20 0.44
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.41
PPP5C P53041 1/20 0.41
PPP2CA P67775 1/20 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
SCHEMBL13779943 0.94 CYP1A2 (0.65) CYP1A2TDP1HTTLMNAALDH1A1
SCHEMBL8194135 0.90 HTT (0.71) CYP1A2TDP1HTTLMNAALDH1A1
SCHEMBL4550238 0.87 ALDH1A1 (0.60) CYP1A2TDP1HTTLMNAALDH1A1
SCHEMBL4539777 0.84 HTT (0.59) HTTLMNAALDH1A1TSHRHPGD
SCHEMBL25499141 0.84 HTT (0.55) CYP1A2TDP1HTTLMNAALDH1A1
SCHEMBL2532790 0.83 HTT (0.69) HTTLMNAALDH1A1TSHRHPGD
SCHEMBL14155726 0.83 HTT (0.75) HTTLMNAALDH1A1TSHRHPGD
SCHEMBL2075903 0.83 HTT (0.81) CYP1A2TDP1HTTLMNAALDH1A1
SCHEMBL27370128 0.82 HTT (0.58) HTTLMNAALDH1A1TSHRHPGD
SCHEMBL13940134 0.82 HPGD (0.72) HTTLMNAALDH1A1TSHRHPGD

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-2023086399-A1 BIFUNCTIONAL DEGRADERS OF HEMATOPOIETIC PROGENITOR KINASE AND THERAPEUTIC USES THEREOF NURIX THERAPEUTICS, INC. (US) 2023-05-19 WO disclosed