SCHEMBL29777956

SCHEMBL29777956

CC1(c2ccccn2)C=CC=CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 1/20 0.32
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
KIF11 P52732 1/20 0.31
KDM4E B2RXH2 2/20 0.31
LMNA P02545 2/20 0.31
CYP1A2 P05177 2/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL22911623 1.00 SLC6A2 (0.36) SLC6A2GRIN1GRIN2AGRIN2BCHRM2
SCHEMBL5969621 0.77 GRIN1 (0.35) SLC6A2GRIN1GRIN2AGRIN2BCHRM2
SCHEMBL14685895 0.77 GRIN1 (0.35) SLC6A2GRIN1GRIN2AGRIN2BCHRM2
SCHEMBL28855379 0.77 SLC6A2 (0.33) SLC6A2GRIN1GRIN2AGRIN2BCHRM2
SCHEMBL16871244 0.76 SLC6A2 (0.38) SLC6A2GRIN1GRIN2AGRIN2BCHRM2
SCHEMBL17382631 0.76 CCR1 (0.35) CCR1CCR5CCR8
SCHEMBL25380938 0.75 SLC6A2 (0.37) SLC6A2GRIN1GRIN2AGRIN2BCHRM2
SCHEMBL31159797 0.75 PTK2 (0.33)
SCHEMBL29779905 0.75 PTK2 (0.33)
SCHEMBL4630348 0.75 GRIN2B (0.33) GRIN1GRIN2AGRIN2BCHRM2CHRM4

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-2022149068-A1 LECTIN PROTEIN FOR TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES UNICHEM LABORATORIES LTD (IN) 2022-07-14 WO disclosed