SCHEMBL28796802

SCHEMBL28796802

COc1cn(-c2ncccc2F)nc1COC(C)C

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2B Q13224 2/20 0.35
HDAC9 Q9UKV0 1/20 0.34
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLC2A1 P11166 1/20 0.33
SLC2A2 P11168 1/20 0.33
NFE2L2 Q16236 2/20 0.33
SYK P43405 1/20 0.32
P2RX7 Q99572 3/20 0.32
PDE4A P27815 1/20 0.32
GPR84 Q9NQS5 1/20 0.32
OPRL1 P41146 2/20 0.31
PDE10A Q9Y233 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL27882093 0.88 RXRA (0.37) RXRAGRIN1GRIN2BHDAC9SMN1; SMN2
SCHEMBL27865518 0.84 HDAC9 (0.32) HDAC9OPRL1HRH3
SCHEMBL1804220 0.82 OPRL1 (0.33) HDAC9TP53MAPTSMN1; SMN2OPRL1
SCHEMBL1807238 0.81 HDAC9 (0.33) HDAC9SMN1; SMN2HRH3
SCHEMBL1804749 0.79 MAPT (0.45) HDAC9TP53MAPTSMN1; SMN2HRH3
SCHEMBL27881813 0.76 GRM5 (0.32) RXRAGRIN1GRIN2BHDAC9
SCHEMBL27865519 0.73 HDAC9 (0.34) RXRAGRIN1GRIN2BHDAC9OPRL1
SCHEMBL1805973 0.71 KDM4E (0.39) HDAC9TP53MAPTSMN1; SMN2OPRL1
SCHEMBL27872051 0.68 PDE10A (0.46) SMN1; SMN2P2RX7PDE10ATDP1L3MBTL1
SCHEMBL1806926 0.67 L3MBTL1 (0.41) HDAC9TDP1L3MBTL1

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
CN-102612520-A Spiropiperidine compounds as orl-1 receptor antagonists LILLY CO ELI 2012-07-25 CN disclosed