SCHEMBL28037364

SCHEMBL28037364

Nc1ccc(COC2CCN(CC(F)F)CC2)cn1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 7/20 0.43
PRMT6 Q96LA8 7/20 0.43
SIGMAR1 Q99720 10/20 0.41
DRD4 P21917 9/20 0.41
TMEM97 Q5BJF2 3/20 0.40
DRD3 P35462 1/20 0.40
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
PRMT8 Q9NR22 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL28036953 0.85 CARM1 (0.43) CARM1PRMT6SIGMAR1DRD4TMEM97
SCHEMBL28037374 0.83 CARM1 (0.42) CARM1PRMT6SIGMAR1DRD4TMEM97
SCHEMBL28037413 0.82 CARM1 (0.39) CARM1PRMT6SIGMAR1DRD4TMEM97
SCHEMBL28037371 0.81 CARM1 (0.43) CARM1PRMT6SIGMAR1TMEM97PRMT8
SCHEMBL25341936 0.81 GABRP (0.43)
SCHEMBL29457485 0.81 GABRP (0.43)
SCHEMBL20758456 0.80 CHRM2 (0.43) CARM1PRMT6SIGMAR1DRD4TMEM97
SCHEMBL28036942 0.79 CARM1 (0.44) CARM1PRMT6SIGMAR1TMEM97PRMT8
SCHEMBL18291483 0.77 MEN1 (0.42) DRD4DRD3ALDH1A1
SCHEMBL28823133 0.73 GPR119 (0.50)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105153119-B Pyridine pyrimidinamine compound or pyridine pyridyl amine compound and its application 广州必贝特医药技术有限公司 2019-01-01 CN disclosed
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