SCHEMBL28560927

SCHEMBL28560927

COC(=O)[C@@H]1CCNC[C@H]1C

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.40
CHRNA4 P43681 2/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM3 P20309 1/20 0.39
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36
SSTR1 P30872 2/20 0.36
SSTR4 P31391 2/20 0.36

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
SCHEMBL3976273 1.00 CHRNB2 (0.40) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL12699742 1.00 CHRNB2 (0.40) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL18308390 1.00 CHRNB2 (0.40) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
Hydrochloric Acid SCHEMBL18299490 0.98 CHRNB2 (0.39) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL8220061 0.85 CHRM2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL13390386 0.85 CHRM2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL29017210 0.85 CHRM2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL29017255 0.85 CHRM2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL1440499 0.85 CHRM2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL8225436 0.85 CHRM2 (0.42) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7

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
CN-107709295-B Tricyclic sulfones as ROR gamma modulators 百时美施贵宝公司 2021-05-04 CN disclosed