SCHEMBL5813611

SCHEMBL5813611

O=C(O)N1CCC(c2ccccc2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.47
CHRM4 P08173 1/20 0.47
CHRM5 P08912 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
KMT2A Q03164 2/20 0.42
TSHR P16473 1/20 0.42
ROCK2 O75116 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TP53 P04637 1/20 0.41
RIPK1 Q13546 3/20 0.40
POLB P06746 1/20 0.40
PER2 O15055 2/20 0.39
CRY2 Q49AN0 1/20 0.39
ALDH1A1 P00352 2/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
CTRB1 P17538 1/20 0.37
MEN1 O00255 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL4618577 1.00 CHRM2 (0.47) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL3730368 0.79 PDE4A (0.57) KMT2ATSHRRIPK1MEN1
SCHEMBL29080041 0.75 PDE4A (0.43) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL15203830 0.74 TSHR (0.53) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL16203621 0.74 TSHR (0.53) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL11804600 0.74 CHRM2 (0.49) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1828425 0.74 MCL1 (0.47) CHRM3KMT2APOLBALDH1A1MEN1
SCHEMBL4721528 0.73 ROCK2 (0.62) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL2357825 0.72 ALDH1A1 (0.45) KMT2ATP53POLBALDH1A1MEN1
SCHEMBL12491199 0.72 CHRM2 (0.55) CHRM2CHRM4CHRM5CHRM1CHRM3

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
WO-2006127396-A1 PAR2-MODULATING COMPOUNDS AND THEIR USE ACADIA PHARMACEUTICALS INC. (US) 2006-11-30 WO disclosed