SCHEMBL25565796

SCHEMBL25565796

CC1CCN(C(=O)CNCCN)CC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.56
NPC1 O15118 3/20 0.56
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HPGD P15428 4/20 0.40
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 1/20 0.38
PHGDH O43175 1/20 0.38
MGLL Q99685 1/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL18330367 0.81 ALDH1A1 (0.56) ALDH1A1NPC1MEN1KMT2AHPGD
SCHEMBL15224180 0.77 NPC1 (0.79) ALDH1A1NPC1MEN1KMT2AHPGD
SCHEMBL2606045 0.77 ALDH1A1 (0.60) ALDH1A1NPC1MEN1KMT2AHPGD
SCHEMBL15224251 0.77 NPC1 (0.71) ALDH1A1NPC1MEN1KMT2AHPGD
SCHEMBL24491912 0.77 ALDH1A1 (0.51) ALDH1A1NPC1MEN1KMT2AHPGD
SCHEMBL8284598 0.76 ALDH1A1 (0.64) ALDH1A1NPC1MEN1KMT2AHPGD
SCHEMBL3736947 0.76 MAOA (0.35) ALDH1A1MEN1KMT2ALMNAKDM4E
SCHEMBL19884749 0.76 NPC1 (0.76) ALDH1A1NPC1MEN1KMT2AHPGD
SCHEMBL19884750 0.76 ALDH1A1 (0.50) ALDH1A1NPC1MEN1KMT2ALMNA
SCHEMBL13043882 0.75 HRH3 (0.39) ALDH1A1MEN1KMT2AKDM4E

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-2023083194-A1 WEE1 PROTEIN KINASE DEGRADATION AGENT AND USE THEREOF 杭州格博生物医药有限公司 2023-05-19 WO disclosed