SCHEMBL21892132

SCHEMBL21892132

CC(C)C(=O)N1C[C@@H](C)N(C)[C@@H](C)C1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 1/20 0.55
▸ CHRNA3 P32297 1/20 0.55
▸ CHRNA4 P43681 1/20 0.55
▸ CHRNB3 Q05901 1/20 0.55
▸ CHRNA6 Q15825 1/20 0.55
▸ PIK3CD O00329 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CHRM1 P11229 1/20 0.33
▸ DPP4 P27487 4/20 0.32
▸ TACR1 P25103 1/20 0.32
▸ MAPT P10636 1/20 0.31
▸ TSHR P16473 1/20 0.31

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
SCHEMBL14165101 1.00 CHRNB2 (0.55) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL23135935 1.00 CHRNB2 (0.55) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL10940004 0.84 CHRNB2 (0.53) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL21846683 0.83 CHRNB2 (0.52) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL10139548 0.81 CHRNB2 (0.59) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL23187987 0.79 CHRM1 (0.52) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL14165128 0.77 CHRNB2 (0.61) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL14465908 0.77 CHRNB2 (0.61) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL23187989 0.77 CHRNB2 (0.46) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL22991196 0.76 CHRNB2 (0.59) 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
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