SCHEMBL9252701

SCHEMBL9252701

CC(C)(C)c1ccc2nc3c(c(Cl)c2c1)CCCC3

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.63
ACHE P22303 17/20 0.57
BCHE P06276 13/20 0.57
GRIN1 Q05586 8/20 0.49
GRIN2A Q12879 8/20 0.49
POLB P06746 1/20 0.46
GAA P10253 1/20 0.46
TSHR P16473 1/20 0.46
CHRM1 P11229 1/20 0.46

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
SCHEMBL9254247 0.89 MAPT (0.52) MAPTACHEBCHEGRIN1GRIN2A
SCHEMBL29817788 0.86 BCHE (0.79) MAPTACHEBCHE
SCHEMBL9256916 0.86 ACHE (0.75) ACHEBCHEGRIN1GRIN2ACHRM1
SCHEMBL29817915 0.83 BCHE (0.77) ACHEBCHE
SCHEMBL9260660 0.83 ACHE (0.54) ACHEBCHEGRIN1GRIN2APOLB
SCHEMBL2126156 0.80 ACHE (0.74) MAPTACHEBCHEGRIN1GRIN2A
SCHEMBL10696947 0.80 ACHE (0.61) MAPTACHEBCHEPOLBGAA
SCHEMBL18065461 0.79 ACHE (0.73) MAPTACHEBCHEGRIN1GRIN2A
SCHEMBL9253566 0.78 ACHE (0.64) ACHEBCHETSHR
SCHEMBL30356238 0.78 ACHE (0.73) MAPTACHEBCHEGRIN1GRIN2A

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-5391553-A Increasing cholinergic functionin mammals HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1995-02-21 US disclosed