SCHEMBL21891883

SCHEMBL21891883

CN1C2CCC1CN(C(=O)C1CC1)C2

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 10/20 0.50
CHRNA3 P32297 10/20 0.50
CHRNA4 P43681 10/20 0.50
CHRNB3 Q05901 5/20 0.50
CHRNA6 Q15825 5/20 0.50
CHRNB4 P30926 5/20 0.48
CHRNA7 P36544 5/20 0.48
HSD11B1 P28845 5/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.44
MAPT P10636 1/20 0.43
HSD11B2 P80365 2/20 0.42
HRH3 Q9Y5N1 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL11778251 0.90 HSD11B1 (0.60) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL21846690 0.82 HRH3 (0.47) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL3233321 0.79 CHRNB2 (0.47) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL13451563 0.77 LMNA (0.41) CHRNA7HSD11B1ALDH1A1TSHR
SCHEMBL8268323 0.77 CHRNB2 (0.46) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL26124395 0.77 CHRNB2 (0.48) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL25260782 0.76 LMNA (0.44) CHRNA7ALDH1A1TSHR
SCHEMBL27387246 0.76 LMNA (0.39) CHRNA7HSD11B1ALDH1A1TSHR
SCHEMBL27384337 0.76 LMNA (0.39) CHRNA7HSD11B1ALDH1A1TSHR
SCHEMBL1711341 0.75 CHRNB2 (0.56) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6

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-2020068729-A1 PYRAZOLO[4,3-D]PYRIMIDINE COMPOUNDS AS ALK2 ABD/OR FGFR MODULATORS INCYTE CORPORATION (US) 2020-04-02 WO disclosed