SCHEMBL29314560

SCHEMBL29314560

CC1CCN(C(=O)CCC2CCCC2)CC1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.65
HSD11B1 P28845 1/20 0.64
ALDH1A1 P00352 9/20 0.63
TP53 P04637 1/20 0.63
ATM Q13315 2/20 0.62
KMT2A Q03164 2/20 0.59
MEN1 O00255 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.51
LMNA P02545 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MAPT P10636 1/20 0.50
HIF1A Q16665 1/20 0.50
CNR2 P34972 2/20 0.47
CNR1 P21554 1/20 0.47

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
SCHEMBL7217209 0.85 TP53 (0.71) HSD11B1ALDH1A1TP53ATMKMT2A
SCHEMBL23978381 0.85 GNAI3 (0.59) NPC1HSD11B1ALDH1A1TP53ATM
SCHEMBL23205790 0.85 NPC1 (0.59) NPC1HSD11B1ALDH1A1TP53ATM
SCHEMBL3952911 0.83 HSD11B1 (0.70) HSD11B1ALDH1A1TP53ATMKMT2A
SCHEMBL22602813 0.83 HSD11B1 (0.70) HSD11B1ALDH1A1TP53ATMKMT2A
SCHEMBL5517503 0.83 HSD11B1 (0.70) HSD11B1ALDH1A1TP53ATMKMT2A
SCHEMBL22874699 0.83 HSD11B1 (0.69) HSD11B1ALDH1A1TP53ATMKMT2A
SCHEMBL8258158 0.81 ALDH1A1 (0.58) NPC1HSD11B1ALDH1A1ATMKMT2A
SCHEMBL22874700 0.81 HSD11B1 (0.63) HSD11B1ALDH1A1TP53ATMKMT2A
SCHEMBL22874698 0.80 HSD11B1 (0.66) HSD11B1ALDH1A1TP53ATMKMT2A

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
EP-4400172-A2 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS Incyte Holdings Corporation (US) 2024-07-17 EP disclosed