SCHEMBL28036949

SCHEMBL28036949

COCCN1CCC(OCc2ccc(Br)nc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 16/20 0.50
PRMT6 Q96LA8 16/20 0.50
PRMT8 Q9NR22 2/20 0.43
SIGMAR1 Q99720 2/20 0.43
TMEM97 Q5BJF2 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
DRD4 P21917 1/20 0.39

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
SCHEMBL28036942 0.85 CARM1 (0.44) CARM1PRMT6PRMT8SIGMAR1TMEM97
SCHEMBL28036947 0.85 CARM1 (0.49) CARM1PRMT6PRMT8SIGMAR1TMEM97
SCHEMBL23330163 0.85 CARM1 (0.48) CARM1PRMT6PRMT8SIGMAR1TMEM97
SCHEMBL20758455 0.84 CARM1 (0.47) CARM1PRMT6PRMT8SIGMAR1TMEM97
SCHEMBL28037393 0.81 CARM1 (0.44) CARM1PRMT6PRMT8SIGMAR1TMEM97
SCHEMBL28036953 0.79 CARM1 (0.43) CARM1PRMT6PRMT8SIGMAR1TMEM97
SCHEMBL28265428 0.75 GRIN2D (0.39) CARM1PRMT6PRMT8SIGMAR1TMEM97
SCHEMBL28037022 0.74 CHRNB2 (0.58) CARM1PRMT6SIGMAR1CHRNB2CHRNA4
SCHEMBL28036951 0.73 SLC6A4 (0.51) CHRNB2CHRNA4
SCHEMBL28265317 0.72 SIGMAR1 (0.55) CARM1PRMT6PRMT8SIGMAR1TMEM97

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