SCHEMBL28037360

SCHEMBL28037360

OCCN1CCC(COc2ccc(Br)nc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.54
CHRNA4 P43681 2/20 0.54
SIGMAR1 Q99720 2/20 0.44
CARM1 Q86X55 1/20 0.43
PRMT6 Q96LA8 1/20 0.43
ALB P02768 1/20 0.43
ACHE P22303 1/20 0.43
MAOB P27338 1/20 0.43

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
SCHEMBL28037022 0.85 CHRNB2 (0.58) CHRNB2CHRNA4SIGMAR1CARM1PRMT6
SCHEMBL28037412 0.84 SIGMAR1 (0.44) SIGMAR1CARM1PRMT6ALBACHE
SCHEMBL28036941 0.84 SIGMAR1 (0.60) SIGMAR1
SCHEMBL20758197 0.84 CHRNB2 (0.56) CHRNB2CHRNA4SIGMAR1
SCHEMBL20758521 0.83 CHRNB2 (0.63) CHRNB2CHRNA4MAOB
SCHEMBL1391640 0.81 CHRNB2 (0.57) CHRNB2CHRNA4
SCHEMBL16757792 0.79 CHRNB2 (0.49) CHRNB2CHRNA4
SCHEMBL16758032 0.79 CHRNB2 (0.51) CHRNB2CHRNA4
SCHEMBL16758161 0.79 CHRNB2 (0.48) CHRNB2CHRNA4
SCHEMBL19277455 0.78 CYP4F2 (0.62) CHRNB2CHRNA4

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