SCHEMBL9257879

SCHEMBL9257879

CC(C)N1CC2CC(CN(C(=O)c3ccc(N)cc3)C2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.46
CHRNB4 P30926 3/20 0.46
CHRNA3 P32297 3/20 0.46
CHRNA4 P43681 3/20 0.46
CHRNA7 P36544 3/20 0.46
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
PLA2G1B P04054 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
GAA P10253 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
Hydrochloric Acid SCHEMBL9272008 0.99 CHRNB2 (0.45) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL6336383 0.86 CHRNA7 (0.57) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL8711485 0.86 PAX8 (0.48) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL6319408 0.85 CHRNB2 (0.61) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL9264243 0.81 KMT2A (0.46) CA12CA1CA2CA7CA9
Hydrochloric Acid SCHEMBL9271468 0.80 KMT2A (0.45) CA12CA1CA2CA7CA9
SCHEMBL12005450 0.80 CHRNB2 (0.46) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL9265944 0.80 ALDH1A1 (0.44) HRH3ALDH1A1SMN1; SMN2
SCHEMBL9269412 0.79 CRHBP (0.43) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7
SCHEMBL9636641 0.79 TLR9 (0.53) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7

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-5468858-A Sudden death syndrome THE BOARD OF REGENTS OF OKLAHOMA STATE UNIVERSITY PHYSICAL SCIENCES (US) 1995-11-21 US disclosed