SCHEMBL27585372

SCHEMBL27585372

NCc1cccc(N2CC[CH]CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AGXT P21549 3/20 0.50
PRMT6 Q96LA8 2/20 0.46
NCF1 P14598 1/20 0.42
PNMT P11086 1/20 0.41
ENPP2 Q13822 1/20 0.41
L3MBTL3 Q96JM7 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LOXL2 Q9Y4K0 1/20 0.40
MBTD1 Q05BQ5 1/20 0.40
TP53BP1 Q12888 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
ADRA2C P18825 1/20 0.40
LMNA P02545 1/20 0.38
KLKB1 P03952 1/20 0.38
KLK1 P06870 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
SCHEMBL27585371 0.90 AGXT (0.44) AGXTPRMT6NCF1PNMTENPP2
SCHEMBL27662780 0.89 AGXT (0.56) AGXTPRMT6NCF1PNMTENPP2
SCHEMBL109316 0.85 AGXT (0.67) AGXTPRMT6NCF1PNMTENPP2
SCHEMBL5095800 0.84 AGXT (0.65) AGXTPRMT6NCF1L3MBTL3L3MBTL1
SCHEMBL113799 0.84 AGXT (0.65) AGXTPRMT6NCF1L3MBTL3L3MBTL1
SCHEMBL27603139 0.81 HRH3 (0.41) PRMT6NCF1L3MBTL1LOXL2ITGB3
SCHEMBL109344 0.81 AGXT (0.69) AGXTPRMT6NCF1ADRA2C
SCHEMBL108136 0.81 AGXT (0.69) AGXTPRMT6NCF1ADRA2CLMNA
SCHEMBL13157040 0.81 AGXT (0.49) AGXTPRMT6NCF1PNMTENPP2
SCHEMBL27468903 0.81 AGXT (0.49) AGXTPRMT6NCF1PNMTENPP2

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-104693183-A Synthetic method for 2-[(4-chlorphenyl) (4-piperidyl oxygroup) methyl] pyridine and derivate thereof HAOYUAN CHEMEXPRESS CO LTD 2015-06-10 CN disclosed
CN-1538956-A Spiro compounds ������ҩ��ʽ���� 2004-10-20 CN disclosed