SCHEMBL13203

SCHEMBL13203

FC1(F)CN(CCN2CCCCC2)C1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.46
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
L3MBTL3 Q96JM7 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
PRMT8 Q9NR22 1/20 0.36
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ACHE P22303 1/20 0.35
SIGMAR1 Q99720 2/20 0.34
TERT O14746 1/20 0.34
TSHR P16473 1/20 0.33

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
SCHEMBL134912 0.78 HRH3 (0.69) HRH3ALDH1A1POLBMAPTL3MBTL1
SCHEMBL4786815 0.78 HRH3 (0.69) HRH3ALDH1A1POLBMAPTL3MBTL1
SCHEMBL23828671 0.78 HRH3 (0.69) HRH3ALDH1A1POLBMAPTL3MBTL1
SCHEMBL5466977 0.78 HRH3 (0.69) HRH3ALDH1A1POLBMAPTL3MBTL1
SCHEMBL12826 0.78 HRH3 (0.69) HRH3ALDH1A1POLBMAPTL3MBTL1
Hydrochloric Acid SCHEMBL640897 0.74 HRH3 (0.65) HRH3ALDH1A1POLBMAPTL3MBTL1
SCHEMBL238611 0.74 HRH3 (0.62) HRH3ALDH1A1POLBMAPTL3MBTL3
SCHEMBL12449649 0.72 KDM4E (0.42) HRH3ALDH1A1POLBMAPTLMNA
SCHEMBL13347 0.72 ALDH1A1 (0.50) ALDH1A1POLBMAPTL3MBTL1LMNA
SCHEMBL6355550 0.72 HRH3 (0.61) HRH3ALDH1A1POLBMAPTL3MBTL1

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
EP-2499146-B1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2016-09-21 EP disclosed
WO-2011058149-A1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO S.A. (CH) 2011-05-19 WO disclosed