SCHEMBL6984442

SCHEMBL6984442

N#Cc1ccc2c(ccn2CCCCN2CCN3CCCCC3C2)c1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 8/20 0.63
P2RX7 Q99572 1/20 0.55
ABCB1 P08183 1/20 0.54
HTR6 P50406 1/20 0.50
SIGMAR1 Q99720 5/20 0.42
PRMT5 O14744 1/20 0.39
TMEM97 Q5BJF2 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37

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
Fumaric Acid SCHEMBL5842459 0.92 HTR7 (0.55) HTR7P2RX7ABCB1HTR6SIGMAR1
Fumaric Acid SCHEMBL5842464 0.92 HTR7 (0.55) HTR7P2RX7ABCB1HTR6SIGMAR1
SCHEMBL6978580 0.84 HTR7 (0.88) HTR7ABCB1HTR6SIGMAR1
SCHEMBL6975705 0.82 HTR7 (0.64) HTR7ABCB1HTR6SIGMAR1
SCHEMBL6982210 0.82 HTR7 (0.68) HTR7P2RX7ABCB1HTR6SIGMAR1
Hydrochloric Acid SCHEMBL5841735 0.82 HTR7 (0.63) HTR7ABCB1HTR6SIGMAR1
SCHEMBL5842531 0.82 ABCB1 (0.80) HTR7P2RX7ABCB1HTR6SIGMAR1
Hydrochloric Acid SCHEMBL5840985 0.81 ABCB1 (0.78) HTR7P2RX7ABCB1HTR6SIGMAR1
SCHEMBL6984967 0.79 ABCB1 (0.76) HTR7P2RX7ABCB1HTR6SIGMAR1
Hydrochloric Acid SCHEMBL5840496 0.78 ABCB1 (0.74) HTR7P2RX7ABCB1HTR6SIGMAR1

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