SCHEMBL292682

SCHEMBL292682

CC1(C)CN(c2ccccc2O)C(=O)CN1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
REN P00797 8/20 0.35
AMPD2 Q01433 2/20 0.35
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
TRPA1 O75762 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL23123105 0.76 KDM4E (0.37) MEN1KMT2AKDM4EPOLBGAA
SCHEMBL22054795 0.72 TMEM97 (0.45) OPRM1SIGMAR1MEN1KMT2AREN
SCHEMBL16719986 0.69 RECQL (0.55) KMT2AKDM4EPOLBGAATRPA1
SCHEMBL291695 0.69 REN (0.45) REN
SCHEMBL293228 0.68 REN (0.44) MEN1KMT2ARENPOLBALDH1A1
SCHEMBL7555132 0.65 DDB1 (0.45) MEN1KMT2AKDM4EPOLBGAA
SCHEMBL23123776 0.65 ALDH1A1 (0.44) MEN1KMT2AKDM4EPOLBALDH1A1
SCHEMBL23122239 0.65 NOS1 (0.40) MEN1KMT2AKDM4EALDH1A1TSHR
SCHEMBL14811854 0.64 GAA (0.44) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL29004244 0.63 GAA (0.42) MEN1KMT2AKDM4EPOLBGAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2036896-B1 CYCLIC AMINE COMPOUND DAIICHI SANKYO CO LTD (JP) 2012-03-14 EP disclosed
EP-2036896-A1 CYCLIC AMINE COMPOUND Daiichi Sankyo Company, Limited (JP) 2009-03-18 EP disclosed