SCHEMBL19220593

SCHEMBL19220593

CCN1CCC2(CC1)COc1ncccc12

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 0.38
LTA4H P09960 4/20 0.37
KCNH2 Q12809 5/20 0.35
EGLN1 Q9GZT9 1/20 0.34
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34
S1PR5 Q9H228 1/20 0.34
CHRM4 P08173 1/20 0.33
EBP Q15125 1/20 0.33
P2RX7 Q99572 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
SCHEMBL6927872 0.84 SIGMAR1 (0.35) SIGMAR1LTA4H
SCHEMBL6925405 0.83 SIGMAR1 (0.51) SIGMAR1LTA4H
SCHEMBL16768498 0.81 P2RY1 (0.39) SIGMAR1LTA4HP2RX7
SCHEMBL18993991 0.78 LTA4H (0.39) SIGMAR1LTA4HKCNH2EGLN1S1PR1
SCHEMBL8014729 0.77 S1PR5 (0.44) SIGMAR1KCNH2S1PR1S1PR3S1PR5
SCHEMBL744980 0.75 ALDH1A1 (0.36) LTA4HP2RX7
SCHEMBL23508675 0.71 GRM4 (0.38) SIGMAR1LTA4HP2RX7
SCHEMBL3245781 0.69 AVPR1A (0.50) KCNH2
SCHEMBL13368621 0.69 KCNH2 (0.62) SIGMAR1KCNH2EGLN1
SCHEMBL31149376 0.69 P2RX7 (0.37) P2RX7

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
EP-2864331-B1 POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 BRISTOL MYERS SQUIBB CO (US) 2017-08-09 EP disclosed