SCHEMBL19308535

SCHEMBL19308535

CC1CC[C@H]1Oc1cccc(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.54
SLC6A4 P31645 1/20 0.54
SLC6A3 Q01959 1/20 0.54
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TP53 P04637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.40
DRD2 P14416 1/20 0.40
PSEN1 P49768 1/20 0.40
MCHR1 Q99705 1/20 0.40
LTA4H P09960 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
HTR2C P28335 1/20 0.39
MGLL Q99685 1/20 0.39
ABHD6 Q9BV23 1/20 0.39

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
SCHEMBL15627282 1.00 SLC6A2 (0.54) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL21180214 0.91 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL11466374 0.81 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL11449411 0.80 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL9597478 0.79 SLC6A4 (0.51) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL9597486 0.79 SLC6A4 (0.51) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL9597472 0.79 SLC6A4 (0.51) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL20858622 0.78 SLC6A2 (0.69) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL11310437 0.76 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL15629799 0.76 SLC6A2 (0.62) SLC6A2SLC6A4SLC6A3MEN1KMT2A

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
US-9751877-B2 Substituted pyrido[1,2-a]pyrazines for the treatment of neurodegenerative and neurological disorders PFIZER INC. (US) 2017-09-05 US disclosed