SCHEMBL28439784

SCHEMBL28439784

CN1CCN(C(=O)Oc2ccc3cccnc3c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.49
ADORA1 P30542 1/20 0.49
HRH4 Q9H3N8 2/20 0.47
HRH3 Q9Y5N1 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
SCN7A Q01118 2/20 0.47
KCNH2 Q12809 2/20 0.47
ABL1 P00519 1/20 0.46
SRC P12931 1/20 0.46
TRPA1 O75762 4/20 0.46
ALDH1A1 P00352 1/20 0.45
TSHR P16473 2/20 0.45
HPGD P15428 1/20 0.45
SCN5A Q14524 1/20 0.44
SCN2A Q99250 1/20 0.44
SCN8A Q9UQD0 1/20 0.44

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
SCHEMBL31103273 0.84 MAPT (0.42) SMN1; SMN2MEN1MAPTHTTKMT2A
SCHEMBL5714487 0.83 KMT2A (0.58) SMN1; SMN2MEN1MAPTKMT2AALDH1A1
SCHEMBL5715592 0.82 TRPA1 (0.47) SMN1; SMN2MEN1KMT2ATRPA1ALDH1A1
SCHEMBL5714708 0.81 TP53 (0.55)
SCHEMBL5714464 0.81 PANK3 (0.46) HRH3MEN1KMT2ATRPA1TRPV1
SCHEMBL5714455 0.81 CYP3A4 (0.46) SMN1; SMN2MAPTABL1SRCALDH1A1
SCHEMBL5714890 0.81 ALDH1A1 (0.55) MEN1MAPTKMT2AALDH1A1TSHR
SCHEMBL5714914 0.80 TP53 (0.43) SMN1; SMN2MAPTABL1SRCTSHR
SCHEMBL5714918 0.80 TP53 (0.45) MAPTTRPA1ALDH1A1
SCHEMBL5715532 0.80 TP53 (0.48) ALDH1A1

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-111511361-A Aminocarbonate and urea compounds as multikinase inhibitors 安杰斯制药公司 2020-08-07 CN disclosed