SCHEMBL6985625

SCHEMBL6985625

O=C(CCCN1CCN2CCCCC2C1)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.48
KCNH2 Q12809 1/20 0.48
CCR3 P51677 6/20 0.48
TRPV4 Q9HBA0 1/20 0.48
FPR3 P25089 1/20 0.46
FPR2 P25090 1/20 0.46
HTR7 P34969 1/20 0.46
LMNA P02545 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
MCHR1 Q99705 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CACNA1G O43497 1/20 0.43

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
SCHEMBL6987557 0.90 HTR1A (0.52) CCR3HTR7HRH3CACNA1G
Hydrochloric Acid SCHEMBL5842086 0.89 HTR1A (0.53) CCR3HTR7HRH3SMN1; SMN2CACNA1G
SCHEMBL6987296 0.89 ALDH1A1 (0.54) LMNAMCHR1CACNA1G
SCHEMBL6981732 0.86 MEN1 (0.54) LMNAHRH3CYP2D6
SCHEMBL5840932 0.86 CACNA1G (0.60) LMNACACNA1G
SCHEMBL6986958 0.86 SMN1; SMN2 (0.54) CCR2KCNH2FPR3FPR2HTR7
SCHEMBL6978967 0.86 LMNA (0.53) LMNACACNA1G
Hydrochloric Acid SCHEMBL5842390 0.85 MEN1 (0.56) LMNAHRH3CYP2D6SMN1; SMN2
Hydrochloric Acid SCHEMBL5842633 0.85 SMN1; SMN2 (0.56) CCR2KCNH2FPR3FPR2HTR7
Hydrochloric Acid SCHEMBL5842876 0.85 KMT2A (0.55) LMNACACNA1G

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-1275647-B1 Octahydro-2H-pyrido[1,2-a]pyrazine derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-11-12 EP disclosed
EP-1275647-A1 Octahydro-2H-pyrido[1,2-a]pyrazine derivatives, process for their preparation and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2003-01-15 EP disclosed