SCHEMBL12673

SCHEMBL12673

CC1CCN(CCN2CC[C@@H](F)C2)C1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.41
PRMT6 Q96LA8 1/20 0.41
PRMT1 Q99873 1/20 0.41
PRMT8 Q9NR22 1/20 0.41
ACHE P22303 3/20 0.36
HRH3 Q9Y5N1 6/20 0.35
SIGMAR1 Q99720 2/20 0.35
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
KDM4E B2RXH2 2/20 0.34

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
SCHEMBL12449708 1.00 CARM1 (0.41) CARM1PRMT6PRMT1PRMT8ACHE
SCHEMBL12449704 1.00 CARM1 (0.41) CARM1PRMT6PRMT1PRMT8ACHE
SCHEMBL12449687 0.91 CARM1 (0.45) CARM1PRMT6PRMT1PRMT8ACHE
SCHEMBL12451 0.91 CARM1 (0.45) CARM1PRMT6PRMT1PRMT8ACHE
SCHEMBL12449652 0.90 KDM4E (0.45) HRH3POLBKDM4E
SCHEMBL12449651 0.90 KDM4E (0.45) HRH3POLBKDM4E
SCHEMBL12774 0.90 KDM4E (0.45) HRH3POLBKDM4E
SCHEMBL12775 0.90 KDM4E (0.45) HRH3POLBKDM4E
SCHEMBL12522637 0.88 KDM4E (0.37) CARM1PRMT6PRMT1PRMT8HRH3
SCHEMBL12449657 0.82 KDM4E (0.45) HRH3POLBKDM4E

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
WO-2011058149-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO S.A. (CH) 2011-05-19 WO disclosed