SCHEMBL21887537

SCHEMBL21887537

CN1CCC(N(C)c2ccc(C#N)cc2)C1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.54
JAK3 P52333 3/20 0.54
JAK1 P23458 2/20 0.54
PGR P06401 10/20 0.47
HRH3 Q9Y5N1 3/20 0.47
MCHR1 Q99705 1/20 0.45
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
CTSS P25774 1/20 0.44
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 0.43
KDM1A O60341 1/20 0.41

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
SCHEMBL3565009 0.80 CTSL (0.40) JAK2JAK3JAK1PGRMCHR1
SCHEMBL21824810 0.79 JAK2 (0.47) JAK2JAK3JAK1MCHR1KDM1A
SCHEMBL148917 0.76 MAOA (0.46) JAK2JAK3JAK1PGRHRH3
SCHEMBL28823769 0.74 SLC6A2 (0.50) JAK2JAK3JAK1KDM1A
SCHEMBL3572453 0.74 ALDH1A1 (0.49) JAK2JAK3JAK1
SCHEMBL24118018 0.73 GPR119 (0.60) JAK2JAK3JAK1
SCHEMBL3033753 0.73 PGR (0.71) PGR
SCHEMBL21824804 0.73 GPR119 (0.60) JAK2JAK3JAK1
Hydrochloric Acid SCHEMBL23302664 0.73 SLC6A2 (0.49) JAK2JAK3JAK1KDM1A
SCHEMBL2056297 0.73 FPR2 (0.51) PGR

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-2020070610-A1 NOVEL OXADIAZOLES PI INDUSTRIES LTD. (IN) 2020-04-09 WO disclosed