SCHEMBL22278140

SCHEMBL22278140

CN1CCC(Cc2ccc(F)c(C#N)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CHKA P35790 2/20 0.44
▸ NOS3 P29474 2/20 0.41
▸ NOS1 P29475 2/20 0.41
▸ NOS2 P35228 2/20 0.41
▸ DPP4 P27487 2/20 0.41
▸ DPP8 Q6V1X1 1/20 0.41
▸ NR1D2 Q14995 1/20 0.41
▸ PGR P06401 1/20 0.41
▸ PDE2A O00408 1/20 0.39
▸ PLA2G7 Q13093 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ FPR2 P25090 1/20 0.38
▸ PROKR1 Q8TCW9 1/20 0.38

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
SCHEMBL22278130 0.83 CHKA (0.42) CHKANOS3NOS1NOS2NR1D2
SCHEMBL13346871 0.82 NR1D2 (0.45) NR1D2ALDH1A1FPR2PROKR1
SCHEMBL15965585 0.80 NR1D2 (0.44) NR1D2FPR2PROKR1
SCHEMBL22278127 0.78 PROKR1 (0.47) NR1D2ALDH1A1FPR2PROKR1
SCHEMBL1911884 0.77 PROKR1 (0.46) NR1D2FPR2PROKR1
SCHEMBL27741252 0.76 HRH3 (0.54) —
SCHEMBL31200218 0.76 DPP4 (0.44) DPP4DPP8
SCHEMBL5109838 0.75 QDPR (0.50) NOS3NOS1NOS2PLA2G7
SCHEMBL31200129 0.75 DPP4 (0.39) DPP4DPP8ALDH1A1
SCHEMBL8302415 0.74 OPRM1 (0.51) NR1D2TSHR

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
WO-2020154571-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-07-30 — — WO disclosed
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