SCHEMBL28037374

SCHEMBL28037374

CCN1CCC(OCc2ccc(N)nc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 11/20 0.42
PRMT6 Q96LA8 11/20 0.42
SIGMAR1 Q99720 4/20 0.41
TMEM97 Q5BJF2 2/20 0.41
HRH3 Q9Y5N1 2/20 0.41
PRMT8 Q9NR22 1/20 0.41
PIK3CA P42336 2/20 0.40
MTOR P42345 2/20 0.40
CHEK1 O14757 1/20 0.40
DRD4 P21917 3/20 0.39
MAP4K4 O95819 1/20 0.38
GCK P35557 1/20 0.38
MAP4K3 Q8IVH8 1/20 0.38
MAP4K1 Q92918 1/20 0.38
MAP4K5 Q9Y4K4 1/20 0.38

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
SCHEMBL20758456 0.86 CHRM2 (0.43) CARM1PRMT6SIGMAR1TMEM97HRH3
SCHEMBL28037413 0.85 CARM1 (0.39) CARM1PRMT6SIGMAR1TMEM97HRH3
SCHEMBL28036942 0.85 CARM1 (0.44) CARM1PRMT6SIGMAR1TMEM97HRH3
SCHEMBL28037371 0.84 CARM1 (0.43) CARM1PRMT6SIGMAR1TMEM97HRH3
SCHEMBL25341936 0.84 GABRP (0.43) PIK3CAMTOR
SCHEMBL29457485 0.84 GABRP (0.43) PIK3CAMTOR
SCHEMBL23330163 0.84 CARM1 (0.48) CARM1PRMT6SIGMAR1TMEM97HRH3
SCHEMBL28037364 0.83 CARM1 (0.43) CARM1PRMT6SIGMAR1TMEM97PRMT8
SCHEMBL28823133 0.76 GPR119 (0.50)
SCHEMBL1126048 0.75 ALDH1A1 (0.54)

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
CN-105153119-A Pyridylpyrimidyl amine compounds or pyridylpyridyl amine compounds and application thereof GUANGZHOU KEQIN NEW MEDICINE DESIGN CO LTD 2015-12-16 CN disclosed