SCHEMBL29947435

SCHEMBL29947435

COC(=O)c1ccncn1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.56
MAPK1 P28482 3/20 0.52
CTNNB1 P35222 1/20 0.47
WNT3A P56704 1/20 0.47
GRM4 Q14833 2/20 0.46
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
FAAH O00519 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
BRD4 O60885 1/20 0.40
BRPF1 P55201 1/20 0.40
CYP46A1 Q9Y6A2 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL249470 1.00 P2RX7 (0.56) P2RX7MAPK1CTNNB1WNT3AGRM4
Hydrochloric Acid SCHEMBL28392257 0.98 P2RX7 (0.55) P2RX7MAPK1CTNNB1WNT3AGRM4
Formic Acid SCHEMBL15822388 0.93 P2RX7 (0.50) P2RX7MAPK1CTNNB1WNT3AGRM4
SCHEMBL28281561 0.87 P2RX7 (0.53) P2RX7MAPK1CTNNB1WNT3AGRM4
SCHEMBL29112193 0.83 KDM4E (0.50) P2RX7MAPK1KDM4EALDH1A1POLB
SCHEMBL30629294 0.82 P2RX7 (0.44) P2RX7MAPK1CTNNB1WNT3AGRM4
SCHEMBL11881388 0.81 P2RX7 (0.49) P2RX7MAPK1CTNNB1WNT3AGRM4
SCHEMBL1478698 0.80 P2RX7 (0.52) P2RX7CTNNB1WNT3AGRM4FAAH
SCHEMBL28179627 0.80 P2RX7 (0.56) P2RX7CTNNB1WNT3AGRM4FAAH
SCHEMBL23293557 0.79 P2RX7 (0.47) P2RX7MAPK1CTNNB1WNT3AGRM4

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-115135659-A Morpholine derivatives and preparation method and application thereof 深圳微芯生物科技股份有限公司 2022-09-30 CN disclosed