SCHEMBL16692838

SCHEMBL16692838

Clc1ncc2c(n1)N(CCc1ccccc1)CCO2

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 5/20 0.41
▸ MAPT P10636 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CLPP Q16740 1/20 0.36
▸ INSR P06213 1/20 0.36
▸ IGF1R P08069 1/20 0.36
▸ MET P08581 1/20 0.36
▸ ALK Q9UM73 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.35

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
SCHEMBL16691340 0.88 GRM5 (0.41) GRM5MAPTCYP2D6
SCHEMBL16692858 0.78 CYP2C9 (0.43) MAPTCYP2D6CLPP
SCHEMBL16692848 0.78 PKM (0.39) GRM5MAPT
SCHEMBL16692850 0.78 CYP2A13 (0.43) MAPTCYP1A2CYP2D6CLPP
SCHEMBL16692866 0.76 TNIK (0.44) MAPTCYP1A2
SCHEMBL30443099 0.76 TNIK (0.44) MAPTCYP1A2
SCHEMBL16691273 0.75 PSEN1 (0.53) GRM5MAPTCYP1A2
SCHEMBL16692874 0.74 ROCK2 (0.50) —
SCHEMBL16691284 0.74 PSEN1 (0.45) GRM5MAPT
SCHEMBL16692826 0.73 TNIK (0.46) CLPP

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-2015066697-A1 FUSED MORPHOLINOPYRIMIDINES AND METHODS OF USE THEREOF FORUM PHARMACEUTICALS INC. (US) 2015-05-07 — — WO disclosed
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