SCHEMBL28201579

SCHEMBL28201579

CN(C)CC1=Nc2ncccc2CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 5/20 0.35
CHRM2 P08172 3/20 0.35
CHRM4 P08173 3/20 0.35
CHRM5 P08912 3/20 0.35
CHRM1 P11229 3/20 0.35
CHRM3 P20309 3/20 0.35
CHRNB2 P17787 3/20 0.35
CHRNA4 P43681 3/20 0.35
HSD17B10 Q99714 2/20 0.33
DRD2 P14416 3/20 0.32
DRD3 P35462 3/20 0.32
LMNA P02545 3/20 0.32
CXCR4 P61073 1/20 0.31
GRIN1 Q05586 2/20 0.31
GRIN2B Q13224 2/20 0.31
MAPT P10636 2/20 0.31
TSHR P16473 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL28201595 0.78 L3MBTL1 (0.36) LMNAKDM4EADRA2BADRA2CADRA2A
SCHEMBL28201586 0.77 CYP2A6 (0.36) HRH1CHRM2CHRM4CHRM5CHRM1
SCHEMBL19142282 0.72 CYP11B1 (0.36) HRH1CHRM2CHRM1DRD2DRD3
SCHEMBL4340785 0.70 TSHR (0.32) HRH1CHRM2CHRM1DRD2LMNA
SCHEMBL28857380 0.70 HRH1 (0.34) HRH1CHRM2CHRM4CHRM5CHRM1
SCHEMBL28276888 0.68 CYP11B2 (0.33) HRH1CHRM2CHRM1DRD2MAPT
SCHEMBL28202178 0.68 HDAC8 (0.32) HRH1CHRM2CHRM1DRD2TSHR
SCHEMBL28195678 0.68 HDAC1 (0.32) HRH1CHRM2CHRM1DRD2TSHR
SCHEMBL28201612 0.68 NPC1 (0.33) HRH1CHRM2CHRM1DRD2KDM4E
SCHEMBL28201589 0.65 CHRM2 (0.30) HRH1CHRM2CHRM1DRD2HTR2A

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-105683188-B The ring pyridinyl derivatives of condensed ring two as FGFR4 inhibitor 诺华股份有限公司 2018-02-09 CN disclosed