SCHEMBL8273759

SCHEMBL8273759

CC1(C)c2ccccc2CN1C(=O)C(O)[C@@H](O)C(=O)NCC1CCN(c2ccccc2N)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 6/20 0.42
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ USP2 O75604 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ PSEN1 P49768 1/20 0.34
▸ PSEN2 P49810 1/20 0.34
▸ APH1B Q8WW43 1/20 0.34
▸ NCSTN Q92542 1/20 0.34
▸ APH1A Q96BI3 1/20 0.34
▸ PSENEN Q9NZ42 1/20 0.34
▸ MTNR1A P48039 2/20 0.33
▸ MTNR1B P49286 2/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ ADRA2C P18825 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ GPBAR1 Q8TDU6 1/20 0.33
▸ NAMPT P43490 1/20 0.33
▸ HTR1A P08908 1/20 0.32

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
SCHEMBL8274753 1.00 ADAM17 (0.42) ADAM17MEN1KMT2AUSP2GAA
SCHEMBL8275729 0.88 ADAM17 (0.38) ADAM17MEN1KMT2APSEN1PSEN2
SCHEMBL8222093 0.88 ADAM17 (0.55) ADAM17MEN1KMT2ANAMPTHTR1A
SCHEMBL13542433 0.81 ADAM17 (0.38) ADAM17MEN1KMT2AGAAHTR1A
SCHEMBL8274406 0.79 ADAM17 (0.49) ADAM17MEN1KMT2AUSP2GAA
SCHEMBL8273741 0.79 ADAM17 (0.48) ADAM17MEN1KMT2AUSP2GAA
SCHEMBL8275600 0.78 ADAM17 (0.45) ADAM17MEN1KMT2ANAMPTADAM10
SCHEMBL8273582 0.77 ADAM17 (0.47) ADAM17MEN1KMT2AUSP2GAA
SCHEMBL8275453 0.76 ADAM17 (0.44) ADAM17MEN1KMT2AUSP2GAA
SCHEMBL8275183 0.75 ADAM17 (0.43) ADAM17MEN1KMT2ANAMPT

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
WO-2005121130-A2 CHEMICAL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION (US) 2005-12-22 — — WO disclosed
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