SCHEMBL9855183

SCHEMBL9855183

CCCCCC1CCC(C#Cc2ccc(C#CC3CCC(CCCCC)CC3)nc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.36
CHRNA2 Q15822 2/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
GRM5 P41594 2/20 0.34
CYP1A2 P05177 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PIK3CA P42336 3/20 0.33
MTOR P42345 3/20 0.33
EGLN1 Q9GZT9 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
FFAR1 O14842 1/20 0.32
OGA O60502 4/20 0.32
IDH1 O75874 1/20 0.31
PDGFRB P09619 1/20 0.30
PDGFRA P16234 1/20 0.30

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
SCHEMBL9855178 1.00 CHRNB2 (0.36) CHRNB2CHRNA2CHRNB4CHRNA3CHRNA4
SCHEMBL9855462 0.99 CHRNB2 (0.36) CHRNB2CHRNA2CHRNB4CHRNA3CHRNA4
SCHEMBL9855465 0.99 CHRNB2 (0.36) CHRNB2CHRNA2CHRNB4CHRNA3CHRNA4
SCHEMBL9856120 0.96 CHRNB2 (0.37) CHRNB2CHRNA2CHRNB4CHRNA3CHRNA4
SCHEMBL9856126 0.96 CHRNB2 (0.37) CHRNB2CHRNA2CHRNB4CHRNA3CHRNA4
SCHEMBL9855343 0.91 CHRNB2 (0.38) CHRNB2CHRNA2CHRNB4CHRNA3CHRNA4
SCHEMBL9855339 0.91 CHRNB2 (0.38) CHRNB2CHRNA2CHRNB4CHRNA3CHRNA4
SCHEMBL9156454 0.86 GRM5 (0.36) CHRNB2CHRNA2CHRNB4CHRNA3CHRNA4
SCHEMBL9156447 0.86 GRM5 (0.36) CHRNB2CHRNA2CHRNB4CHRNA3CHRNA4
SCHEMBL9855115 0.85 CHRNB2 (0.40) CHRNB2CHRNA2CHRNB4CHRNA3CHRNA4

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
US-5068053-A Liquid crystals for optical apparatus MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1991-11-26 US disclosed