SCHEMBL18569697

SCHEMBL18569697

CN1CC(=O)N2CCC2C1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.33
▸ HTR2C P28335 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ ACHE P22303 1/20 0.32
▸ PARP2 Q9UGN5 1/20 0.31
▸ CHRM2 P08172 2/20 0.31
▸ CHRM3 P20309 2/20 0.31
▸ CHRNB2 P17787 1/20 0.31
▸ CHRNB4 P30926 1/20 0.31
▸ CHRNA3 P32297 1/20 0.31
▸ CHRNA7 P36544 1/20 0.31
▸ CHRNA4 P43681 1/20 0.31
▸ PDE7A Q13946 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL14329369 0.88 HTR2B (0.36) HTR2BCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL14826661 0.86 LMNA (0.36) PDE7AGAA
SCHEMBL15919806 0.86 LMNA (0.36) PDE7AGAA
SCHEMBL24418400 0.83 HTR2A (0.42) HTR2AHTR2CHTR2BPDE7A
SCHEMBL8341378 0.78 PARP2 (0.42) HTR2AHTR2CHTR2BACHEPARP2
SCHEMBL25045333 0.77 PDE7A (0.40) HTR2AHTR2CHTR2BACHEPARP2
SCHEMBL25044728 0.76 HTR2C (0.38) HTR2AHTR2CHTR2B
SCHEMBL25043951 0.76 MAPT (0.34) SMN1; SMN2
SCHEMBL25043947 0.76 PIK3C3 (0.33) —
SCHEMBL12309469 0.75 KDM5A (0.42) HTR2AHTR2CHTR2BCHRNB2CHRNB4

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-3004084-B1 SUBSTITUTED BENZOXAZOLES Bayer Pharma AG (DE) 2017-03-01 — — EP disclosed
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