SCHEMBL22858656

SCHEMBL22858656

CCC1CCN(C2CCSCC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 2/20 0.34
NPY1R P25929 1/20 0.33
ALDH1A1 P00352 1/20 0.32
GRIN2B Q13224 1/20 0.31
POLB P06746 1/20 0.31
RECQL P46063 1/20 0.31

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
SCHEMBL12605203 0.84 MEN1 (0.42) MEN1KMT2AKDM4EALDH1A1GRIN2B
SCHEMBL21120629 0.80 OPRM1 (0.39) MEN1KMT2AKDM4EGRIN2BPOLB
SCHEMBL13181314 0.80 OPRL1 (0.42) MEN1KMT2A
SCHEMBL24146229 0.78 OPRL1 (0.45) MEN1KMT2A
SCHEMBL20386431 0.78 OPRL1 (0.45) MEN1KMT2A
SCHEMBL11919059 0.77 NCF1 (0.46) MEN1KMT2AKDM4EALDH1A1GRIN2B
SCHEMBL23384365 0.77 NCF1 (0.46) MEN1KMT2AKDM4EALDH1A1GRIN2B
SCHEMBL178290 0.77
SCHEMBL25085633 0.75 MEN1 (0.38) MEN1KMT2AKDM4EALDH1A1GRIN2B
SCHEMBL24294446 0.75 MEN1 (0.38) LMNAMEN1KMT2AKDM4EALDH1A1

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-2021000899-A1 A PHARMACEUTICAL COMBINATION CONTAINING mTOR INHIBITOR AND USE THEREOF ASCENTAGE PHARMA (SUZHOU) CO., LTD. (CN) 2021-01-07 WO disclosed