SCHEMBL22018747

SCHEMBL22018747

C=CN1c2ccccc2C[C@H]1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.49
PRCP P42785 1/20 0.45
HTR2A P28223 3/20 0.42
HTR2C P28335 3/20 0.42
HTR2B P41595 3/20 0.42
LMNA P02545 3/20 0.42
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
ROCK1 Q13464 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
ALDH1A1 P00352 5/20 0.40
NPC1 O15118 2/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 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
SCHEMBL11307322 1.00 NOTUM (0.49) NOTUMPRCPHTR2AHTR2CHTR2B
SCHEMBL8516304 0.81 NOTUM (0.53) NOTUMHTR2AHTR2CHTR2BLMNA
SCHEMBL24201529 0.80 NOTUM (0.47) NOTUMHTR2AHTR2CHTR2BLMNA
SCHEMBL29740237 0.75 NOTUM (0.43) NOTUMHTR2AHTR2CHTR2BLMNA
SCHEMBL22292629 0.75 NOTUM (0.53) NOTUMHTR2AHTR2CHTR2BLMNA
SCHEMBL19254715 0.74 PRCP (0.56) NOTUMPRCPLMNAMEN1MAPT
SCHEMBL11349031 0.74 PRCP (0.56) NOTUMPRCPLMNAMEN1MAPT
SCHEMBL29172566 0.73 NOTUM (0.48) NOTUMHTR2AHTR2CHTR2BLMNA
SCHEMBL7733992 0.72 NOTUM (0.55) NOTUMHTR2AHTR2CHTR2BLMNA
SCHEMBL31672940 0.72 NOTUM (0.55) NOTUMHTR2AHTR2CHTR2BLMNA

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
EP-3653054-A1 COMPOSITION FOR INHIBITION OF INSECT SENSING Vanderbilt University (US) 2020-05-20 EP disclosed