SCHEMBL28069976

SCHEMBL28069976

CC(C)(C)OC(=O)N[C@H](CCF)c1cccc(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.47
CTSS P25774 2/20 0.47
CTSB P07858 1/20 0.47
AAK1 Q2M2I8 10/20 0.43
GABRB1 P18505 1/20 0.40
GABRB2 P47870 1/20 0.40
JAK2 O60674 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL16410495 1.00 CTSK (0.47) CTSKCTSSCTSBAAK1GABRB1
SCHEMBL16410292 0.91 CTSS (0.48) CTSKCTSSCTSBAAK1GABRB1
SCHEMBL29423245 0.90 CTSK (0.47) CTSKCTSSCTSBAAK1
SCHEMBL28069901 0.90 CTSK (0.47) CTSKCTSSCTSBAAK1
SCHEMBL16410211 0.90 CTSK (0.47) CTSKCTSSCTSBAAK1
SCHEMBL38666123 0.90 CTSK (0.47) CTSKCTSSCTSBAAK1
SCHEMBL4838536 0.87 CTSS (0.49) CTSKCTSSCTSBAAK1ALDH1A1
SCHEMBL29676847 0.87 CTSS (0.49) CTSKCTSSCTSBAAK1ALDH1A1
SCHEMBL4704028 0.87 CTSS (0.49) CTSKCTSSCTSBAAK1ALDH1A1
SCHEMBL4838542 0.87 CTSS (0.49) CTSKCTSSCTSBAAK1ALDH1A1

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-105555766-A Aminomethyl-biaryl derivatives as complement factor D inhibitors and uses thereof NOVARTIS AG 2016-05-04 CN disclosed