SCHEMBL7147027

SCHEMBL7147027

COC(=O)C(C)N(Cc1ccc(F)cc1)C(=O)C(C)NC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
TSHR P16473 2/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
GAA P10253 1/20 0.42
KCNQ4 P56696 3/20 0.41
KCNQ5 Q9NR82 3/20 0.41
CACNA1B Q00975 1/20 0.39
KLK5 Q9Y337 1/20 0.39
PSEN1 P49768 3/20 0.38
PSEN2 P49810 3/20 0.38
APH1B Q8WW43 3/20 0.38
NCSTN Q92542 3/20 0.38
APH1A Q96BI3 3/20 0.38
PSENEN Q9NZ42 3/20 0.38
CA12 O43570 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 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
SCHEMBL6075777 1.00 CTSS (0.44) CTSSCTSKTSHRMEN1KMT2A
SCHEMBL6835198 1.00 CTSS (0.44) CTSSCTSKTSHRMEN1KMT2A
SCHEMBL5060017 1.00 CTSS (0.44) CTSSCTSKTSHRMEN1KMT2A
SCHEMBL5064260 1.00 CTSS (0.44) CTSSCTSKTSHRMEN1KMT2A
SCHEMBL5055741 1.00 CTSS (0.44) CTSSCTSKTSHRMEN1KMT2A
SCHEMBL5064577 1.00 CTSS (0.44) CTSSCTSKTSHRMEN1KMT2A
SCHEMBL27603663 0.90 CTSS (0.47) CTSSCTSKTSHRMEN1KMT2A
SCHEMBL5059303 0.89 MEN1 (0.43) CTSSCTSKTSHRMEN1KMT2A
SCHEMBL27713373 0.89 MEN1 (0.43) CTSSCTSKTSHRMEN1KMT2A
SCHEMBL4187135 0.89 KLK5 (0.49) CTSSCTSKMEN1KMT2AKLK5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1268455-A2 PIPERAZINE DERIVATIVES Pfizer Products Inc. (US) 2003-01-02 EP disclosed
WO-2001072728-A2 NOVEL PIPERAZINE DERIVATIVES PFIZER PRODUCTS INC. (US) 2001-10-04 WO disclosed