SCHEMBL28210587

SCHEMBL28210587

C[C](C)CN1CCCCC1c1cccc(S(N)(=O)=O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFB P00751 6/20 0.60
DRD2 P14416 4/20 0.46
DRD3 P35462 3/20 0.46
ROCK2 O75116 1/20 0.42
CA2 P00918 4/20 0.40
CA1 P00915 3/20 0.40
CA9 Q16790 3/20 0.40
CA12 O43570 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
NOS1 P29475 1/20 0.38
DRD1 P21728 2/20 0.38
DRD4 P21917 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 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
SCHEMBL16401682 0.78 ROCK2 (0.49) CFBROCK2CA2CA1CA9
SCHEMBL16400733 0.76 CFB (1.00) CFB
SCHEMBL17782219 0.74 NR1H2 (0.51) CFBROCK2CA2CA1CA9
SCHEMBL3025313 0.74 DRD2 (0.60) CFBDRD2DRD3LMNA
SCHEMBL3643723 0.74 DRD2 (0.60) CFBDRD2DRD3LMNA
SCHEMBL29997756 0.74 DRD2 (0.60) CFBDRD2DRD3LMNA
SCHEMBL28168588 0.74 DRD2 (0.48) CFBDRD2DRD3ROCK2KMT2A
SCHEMBL20012108 0.74 CFB (0.69) CFBDRD2DRD3
SCHEMBL28065011 0.74 CFB (0.44) CFBDRD2DRD3ROCK2CA2
SCHEMBL16401372 0.73 TMEM97 (0.48) CFBDRD2ROCK2CA2CA1

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