SCHEMBL26772895

SCHEMBL26772895

CC(C)Oc1ccccc1[C@@H]1CCCN1C

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CHRNB4 P30926 3/20 0.50
▸ CHRNA3 P32297 3/20 0.50
▸ CHRNB2 P17787 2/20 0.50
▸ CHRNA4 P43681 2/20 0.50
▸ CHRNA7 P36544 1/20 0.50
▸ CHRM2 P08172 4/20 0.43
▸ CHRM4 P08173 4/20 0.43
▸ CHRM5 P08912 4/20 0.43
▸ CHRM1 P11229 4/20 0.43
▸ CHRM3 P20309 4/20 0.43
▸ HTR2A P28223 1/20 0.42
▸ HTR2C P28335 1/20 0.42
▸ HTR2B P41595 1/20 0.42

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
SCHEMBL23323087 1.00 CHRNB4 (0.50) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7
SCHEMBL23487075 0.84 HTR2A (0.41) CHRNB4CHRNA3HTR2AHTR2CHTR2B
SCHEMBL13162085 0.83 CHRNB4 (0.54) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7
SCHEMBL24775068 0.81 HTR2A (0.40) CHRNB4CHRNA3HTR2AHTR2CHTR2B
SCHEMBL24774525 0.81 HTR2A (0.40) CHRNB4CHRNA3HTR2AHTR2CHTR2B
SCHEMBL23323112 0.80 CHRNB2 (0.51) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7
SCHEMBL23323111 0.79 SMN1; SMN2 (0.52) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7
SCHEMBL23323074 0.76 CHRNB2 (0.54) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7
SCHEMBL23323071 0.76 CHRNB2 (0.54) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7
SCHEMBL23323096 0.74 CHRNB2 (0.59) CHRNB4CHRNA3CHRNB2CHRNA4CHRNA7

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-2023218410-A1 METHODS OF TREATING MYELOID MALIGNANCIES USING BCL-2 INHIBITOR BEIGENE SWITZERLAND GMBH (CH) 2023-11-16 — — WO disclosed
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