SCHEMBL27872008

SCHEMBL27872008

[CH2]c1cn(-c2c(F)cccc2COC)nc1C

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.36
OPRL1 P41146 8/20 0.32
RXRA P19793 3/20 0.31
GRIN1 Q05586 2/20 0.31
GRIN2B Q13224 2/20 0.31
P2RX7 Q99572 1/20 0.31
KLKB1 P03952 1/20 0.30

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
SCHEMBL27871974 0.84 P2RX7 (0.39) KCNN4OPRL1P2RX7
SCHEMBL1808960 0.83 OPRL1 (0.42) KCNN4OPRL1
SCHEMBL1808442 0.81 ALDH1A1 (0.39) KCNN4P2RX7KLKB1
SCHEMBL1807100 0.77 L3MBTL1 (0.39)
SCHEMBL27882037 0.75 OPRL1 (0.43) OPRL1
SCHEMBL27872101 0.71 TDP1 (0.39) KLKB1
SCHEMBL27871912 0.70 OPRL1 (0.40) OPRL1P2RX7
SCHEMBL28797984 0.69 OPRL1 (0.44) OPRL1P2RX7
SCHEMBL11972707 0.67 OPRL1 (0.39) OPRL1P2RX7
SCHEMBL13248030 0.66 KCNN4 (0.41) KCNN4RXRAGRIN1GRIN2BP2RX7

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-102666550-A Spiropiperidine compounds as ORL-1 receptor antagonists LILLY CO ELI 2012-09-12 CN disclosed