SCHEMBL16622937

SCHEMBL16622937

CC(C)N[C@H](N)N1CCN(CCO)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 2/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
KMT2A Q03164 3/20 0.36
LMNA P02545 3/20 0.36
HTT P42858 2/20 0.36
MEN1 O00255 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PKM P14618 1/20 0.35
POLB P06746 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.32
ADRB2 P07550 1/20 0.32
OPRD1 P41143 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
MAPK1 P28482 1/20 0.30
GAA P10253 1/20 0.30
THRB P10828 1/20 0.30

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
SCHEMBL2316273 0.79 ALDH1A1 (0.43) ALDH1A1KDM4ECHRM2CHRM1KMT2A
SCHEMBL16622934 0.74 ALDH1A1 (0.46) ALDH1A1KDM4ECHRM2CHRM1KMT2A
SCHEMBL436938 0.74 ALDH1A1 (0.46) ALDH1A1KDM4ECHRM2CHRM1KMT2A
SCHEMBL6026483 0.72 KMT2A (0.47) ALDH1A1KDM4ECHRM2CHRM1KMT2A
SCHEMBL12205471 0.72 SIGMAR1 (0.46) ALDH1A1KDM4ECHRM2CHRM1KMT2A
SCHEMBL9801499 0.71 KMT2A (0.50) ALDH1A1KDM4ECHRM2CHRM1KMT2A
SCHEMBL4656852 0.71 KMT2A (0.46) ALDH1A1KDM4ECHRM2CHRM1KMT2A
SCHEMBL6110482 0.71 CHRM2 (0.44) ALDH1A1KDM4ECHRM2CHRM1KMT2A
SCHEMBL11312006 0.71 ALDH1A1 (0.43) ALDH1A1KDM4ECHRM2CHRM1KMT2A
SCHEMBL6026163 0.71 ALDH1A1 (0.43) ALDH1A1KDM4ECHRM2CHRM1KMT2A

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-2923703-A1 TRIAZINE DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS Abraxis BioScience, Inc. (US) 2015-09-30 EP disclosed
EP-2425840-B1 Triazine derivatives and their therapeutical applications ABRAXIS BIOSCIENCE INC (US) 2015-04-08 EP disclosed