SCHEMBL28209964

SCHEMBL28209964

C[C](C)CN1CCC(NS(=O)(=O)C(C)(C)C)CC1c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 6/20 0.43
▸ CFB P00751 1/20 0.39
▸ RIPK1 Q13546 5/20 0.38
▸ SMYD3 Q9H7B4 2/20 0.35
▸ CHRNB2 P17787 1/20 0.34
▸ CHRNB4 P30926 1/20 0.34
▸ CHRNA3 P32297 1/20 0.34
▸ CHRNA7 P36544 1/20 0.34
▸ CHRNA4 P43681 1/20 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
SCHEMBL28065036 0.76 RIPK1 (0.43) KDM1ARIPK1
SCHEMBL28210594 0.71 CFB (0.56) KDM1ACFBRIPK1CHRNB2CHRNB4
SCHEMBL16543129 0.70 CYP2D6 (0.39) —
SCHEMBL16543128 0.70 CYP2D6 (0.39) —
SCHEMBL16543127 0.70 CYP2D6 (0.39) —
SCHEMBL28858375 0.67 CFB (0.58) KDM1ACFBRIPK1CHRNB2CHRNB4
Hydrochloric Acid SCHEMBL8604291 0.67 KDM1A (0.39) KDM1ACFB
SCHEMBL10115579 0.66 ALDH1A1 (0.55) —
SCHEMBL30668566 0.64 SLC6A9 (0.45) CFBRIPK1CHRNB2CHRNB4CHRNA3
SCHEMBL27131649 0.64 SLC6A9 (0.45) CFBRIPK1CHRNB2CHRNB4CHRNA3

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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