SCHEMBL4792995

SCHEMBL4792995

NC1CCN(Cc2ccc(Cn3cnc4c(F)cccc43)cc2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.37
HTR6 P50406 2/20 0.36
DDR1 Q08345 1/20 0.35
PRKACA P17612 3/20 0.35
PRKACG P22612 3/20 0.35
PRKACB P22694 3/20 0.35
CYP11B1 P15538 4/20 0.35
CYP11B2 P19099 4/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPK1 P28482 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
BACE1 P56817 1/20 0.35
TNF P01375 1/20 0.35
KDM4E B2RXH2 2/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
HRH3 Q9Y5N1 2/20 0.34
ALDH1A1 P00352 1/20 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
SCHEMBL2880209 0.84 HRH3 (0.49) LTA4HDDR1KDM4EHRH3
SCHEMBL2884152 0.83 HRH3 (0.48) HRH3
Hydrochloric Acid SCHEMBL2887059 0.80 CYP11B1 (0.56) CYP11B1CYP11B2HTTSMN1; SMN2MAPK1
SCHEMBL4566468 0.76 CYP11B1 (0.58) HTR6CYP11B1CYP11B2HTTSMN1; SMN2
SCHEMBL16434812 0.73 BCHE (0.54) BCHEACHEBACE1
SCHEMBL2031564 0.73 BCHE (0.54) BCHEACHEBACE1
SCHEMBL11453801 0.73 BCHE (0.54) BCHEACHEBACE1
SCHEMBL4763558 0.73 CYP11B1 (0.48) DDR1CYP11B1CYP11B2HTTSMN1; SMN2
SCHEMBL22533720 0.72 CYP11B1 (0.40) HTR6CYP11B1CYP11B2HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL16423436 0.72 BCHE (0.52) BCHEACHEBACE1

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-1994022-A2 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2008-11-26 EP claimed
WO-2007108936-A2 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2007-09-27 WO claimed