SCHEMBL28044690

SCHEMBL28044690

COC(=O)c1ccc(C2=CCN(C[C](C)C)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.47
HTR1A P08908 3/20 0.46
KDM4E B2RXH2 4/20 0.46
MAPT P10636 2/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL27634990 0.82 SIGMAR1 (0.46) SIGMAR1HTR1AKDM4EMAPTLMNA
SCHEMBL2394181 0.81 NAMPT (0.58) SIGMAR1KDM4EMAPTLMNAMEN1
SCHEMBL15952018 0.80 QDPR (0.48) MAPTMEN1KMT2A
SCHEMBL27195853 0.79 QDPR (0.59) LMNA
SCHEMBL15984674 0.79 TDP1 (0.47) MAPTMEN1KMT2A
SCHEMBL27979569 0.77 DRD4 (0.47) SIGMAR1KDM4EMAPTLMNAMEN1
SCHEMBL27914131 0.77 SIGMAR1 (0.57) SIGMAR1HTR1AMAPTMEN1KMT2A
SCHEMBL28096230 0.77 SIGMAR1 (0.57) SIGMAR1HTR1AKDM4EMAPTLMNA
SCHEMBL27801629 0.77 KDM4E (0.56) SIGMAR1HTR1AKDM4EMAPTLMNA
SCHEMBL20582537 0.76 PPARG (0.45) SIGMAR1KDM4EMEN1KMT2A

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
CN-105073730-A monocyclic pyridine derivatives WEI CAIR 2015-11-18 CN disclosed