SCHEMBL28037393

SCHEMBL28037393

Brc1ccc(COC2CCN(CC3CC3)CC2)cn1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 7/20 0.44
PRMT6 Q96LA8 7/20 0.44
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
SIGMAR1 Q99720 2/20 0.38
DRD4 P21917 1/20 0.38
KCNH2 Q12809 1/20 0.38
CACNA1I Q9P0X4 1/20 0.38
TRPV6 Q9H1D0 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
PRMT8 Q9NR22 1/20 0.38
HRH3 Q9Y5N1 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
SCHEMBL23330163 0.85 CARM1 (0.48) CARM1PRMT6SIGMAR1DRD4TMEM97
SCHEMBL28037413 0.84 CARM1 (0.39) CARM1PRMT6CHRM2CHRM1CHRM3
SCHEMBL28036947 0.83 CARM1 (0.49) CARM1PRMT6SIGMAR1TMEM97PRMT8
SCHEMBL20758455 0.82 CARM1 (0.47) CARM1PRMT6CHRM2CHRM1CHRM3
SCHEMBL28036953 0.82 CARM1 (0.43) CARM1PRMT6SIGMAR1DRD4TMEM97
SCHEMBL28036949 0.81 CARM1 (0.50) CARM1PRMT6SIGMAR1DRD4TMEM97
SCHEMBL28265428 0.78 GRIN2D (0.39) CARM1PRMT6SIGMAR1KCNH2CACNA1I
SCHEMBL28036951 0.76 SLC6A4 (0.51) CHRM2CHRM1CHRM3KCNH2
SCHEMBL28036941 0.73 SIGMAR1 (0.60) SIGMAR1
SCHEMBL28823220 0.72 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