SCHEMBL20860985

SCHEMBL20860985

Cc1ccc(N2CCc3ccccc3C2)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 5/20 0.55
GRIN3B O60391 5/20 0.55
GRIN1 Q05586 5/20 0.55
GRIN2A Q12879 5/20 0.55
GRIN2B Q13224 5/20 0.55
GRIN2C Q14957 5/20 0.55
GRIN3A Q8TCU5 5/20 0.55
MAPT P10636 6/20 0.54
GRM1 Q13255 1/20 0.52
POLB P06746 1/20 0.48
RAB9A P51151 1/20 0.46
CHRM1 P11229 2/20 0.46
ADRA1D P25100 2/20 0.46
ADRA1A P35348 2/20 0.46
ADRA1B P35368 2/20 0.46
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
PKM P14618 1/20 0.45
MAPK1 P28482 1/20 0.45
MAOA P21397 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
SCHEMBL17191282 0.90 ALDH1A1 (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29977842 0.84 MAPT (0.56) MAPTGRM1RAB9AALDH1A1KDM4E
SCHEMBL3034000 0.81 GRIN2D (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11423133 0.80 MAPT (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3025176 0.76 MAPT (0.68) MAPTPOLBALDH1A1KDM4EPKM
SCHEMBL20776928 0.76 GRM1 (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL22562801 0.75 ALDH1A1 (0.75) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30101840 0.75 ALDH1A1 (0.75) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29977823 0.75 EED (0.64) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL702928 0.75 EED (0.64) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-1659881-B1 NOVEL FLAVORS, FLAVOR MODIFIERS, TASTANTS, TASTE ENHANCERS, UMAMI OR SWEET TASTANTS, AND/OR ENHANCERS AND USE THEREOF SENOMYX INC (US) 2019-04-03 EP disclosed