SCHEMBL28858375

SCHEMBL28858375

C[C](C)CN1CCC(CC#N)CC1c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CFB P00751 8/20 0.58
▸ CHRNB2 P17787 1/20 0.38
▸ CHRNB4 P30926 1/20 0.38
▸ CHRNA3 P32297 1/20 0.38
▸ CHRNA7 P36544 1/20 0.38
▸ CHRNA4 P43681 1/20 0.38
▸ KDM1A O60341 1/20 0.36
▸ RIPK1 Q13546 2/20 0.34

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
SCHEMBL28210594 0.83 CFB (0.56) CFBCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL16400851 0.77 CFB (0.46) CFBKDM1ARIPK1
SCHEMBL20011760 0.73 CFB (0.43) CFBKDM1ARIPK1
SCHEMBL28065026 0.72 RIPK1 (0.44) CFBKDM1ARIPK1
SCHEMBL16409384 0.72 RIPK1 (0.44) CFBRIPK1
SCHEMBL12232914 0.67 AKR1C3 (0.43) CFB
SCHEMBL28119684 0.67 CFB (0.30) CFB
SCHEMBL28209964 0.67 KDM1A (0.43) CFBCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3609864 0.65 CHRNB2 (0.50) CFBCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL30668566 0.65 SLC6A9 (0.45) CFBCHRNB2CHRNB4CHRNA3CHRNA7

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-105579444-B Piperidinylindole derivatives and their use as complement factor B inhibitors 诺华股份有限公司 2018-05-01 — — CN disclosed
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