SCHEMBL18595247

SCHEMBL18595247

C/C=C/C(=O)c1cccc(C)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.51
GRM5 P41594 3/20 0.49
RAB9A P51151 3/20 0.42
CCR1 P32246 1/20 0.39
CCR8 P51685 1/20 0.39
CYP1A2 P05177 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
ACMSD Q8TDX5 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CTSA P10619 1/20 0.37
NPC1 O15118 2/20 0.36
MAPK1 P28482 1/20 0.36
MDM2 Q00987 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSP90AA1 P07900 1/20 0.36

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
SCHEMBL21126658 0.81 P2RX7 (0.55) P2RX7GRM5RAB9ACCR1CCR8
SCHEMBL4782704 0.81 RECQL (0.54) P2RX7GRM5RAB9ACYP1A2TDP1
SCHEMBL11363955 0.81 RECQL (0.54) P2RX7GRM5RAB9ACYP1A2TDP1
SCHEMBL23598517 0.80 MAPT (0.59) GRM5RAB9ACYP1A2KDM4ETSHR
SCHEMBL17819482 0.79 P2RX7 (0.53) P2RX7GRM5RAB9ACCR1CCR8
SCHEMBL11383075 0.78 P2RX7 (0.51) P2RX7GRM5RAB9ACCR1CCR8
SCHEMBL20362924 0.76 P2RX7 (0.48) P2RX7GRM5RAB9ACCR1CCR8
SCHEMBL13465188 0.76 P2RX7 (0.48) P2RX7GRM5RAB9ACCR1CCR8
SCHEMBL2237588 0.76 P2RX7 (0.62) P2RX7GRM5RAB9ACCR1CCR8
SCHEMBL1958309 0.76 P2RX7 (0.62) P2RX7GRM5RAB9ACCR1CCR8

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
US-9586951-B2 Morpholine derivative or salt thereof FUJIFILM CORPORATION (JP) 2017-03-07 US disclosed