SCHEMBL23487074

SCHEMBL23487074

CN(C)CCCc1ccccc1C1CCCN1C

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 3/20 0.45
▸ CHRNA4 P43681 3/20 0.45
▸ CHRNB4 P30926 1/20 0.45
▸ CHRNA3 P32297 1/20 0.45
▸ CHRNA7 P36544 1/20 0.45
▸ CHRM2 P08172 3/20 0.38
▸ CHRM4 P08173 3/20 0.38
▸ CHRM5 P08912 3/20 0.38
▸ CHRM1 P11229 3/20 0.38
▸ CHRM3 P20309 3/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ HRH1 P35367 1/20 0.38

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
SCHEMBL23323081 0.92 CHRNB2 (0.47) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL24775358 0.85 HTR2A (0.37) HTR2AHRH1
SCHEMBL24853959 0.83 SLC6A4 (0.37) CHRM2CHRM4CHRM1CHRM3HTR2A
SCHEMBL24775485 0.81 CHRNB2 (0.51) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL12932568 0.78 CHRNB2 (0.54) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL3538857 0.77 CHRNB2 (0.53) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL23323099 0.75 HTR1B (0.48) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL24774829 0.75 TAAR1 (0.39) CHRNA7HTR2AHRH1
SCHEMBL29534943 0.73 CHRNB2 (0.49) CHRNB2CHRNA4CHRNB4CHRNA3CHRNA7
SCHEMBL24775415 0.73 CHRNB2 (0.59) 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
WO-2021110102-A1 METHODS OF CANCER TREATMENT USING BCL-2 INHIBITOR BEIGENE, LTD. (KY) 2021-06-10 — — WO disclosed
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