SCHEMBL9664400

SCHEMBL9664400

N#Cc1cccc(C[C@](N)(C(=O)N2CCCCC2)S(=O)(=O)c2ccc3ccccc3c2)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ DPP7 Q9UHL4 1/20 0.42
▸ F2 P00734 6/20 0.42
▸ PRSS1 P07477 5/20 0.42
▸ KAT6A Q92794 1/20 0.42
▸ F10 P00742 4/20 0.41
▸ PLG P00747 1/20 0.41
▸ PLAU P00749 1/20 0.41
▸ CASR P41180 2/20 0.40
▸ MCOLN3 Q8TDD5 2/20 0.38
▸ TSHR P16473 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
SCHEMBL8955009 0.88 HTT (0.52) ALDH1A1HTTF2PRSS1KAT6A
SCHEMBL8954993 0.85 CASR (0.41) ALDH1A1DPP7F2PRSS1KAT6A
Bicarbonate SCHEMBL9665131 0.81 F10 (0.57) F2PRSS1F10PLGPLAU
SCHEMBL8954682 0.80 ALOX5AP (0.38) ALDH1A1DPP7F2PRSS1KAT6A
SCHEMBL8954843 0.79 MMP8 (0.38) ALDH1A1KAT6AF10CASR
SCHEMBL8954607 0.79 CASR (0.36) DPP7KAT6AF10CASR
SCHEMBL9665755 0.79 CASR (0.38) DPP7F2PRSS1KAT6AF10
SCHEMBL8954708 0.78 CASR (0.39) DPP7F2PRSS1KAT6AF10
SCHEMBL9665029 0.77 CASR (0.41) DPP7F2PRSS1KAT6AF10
SCHEMBL8954772 0.76 F10 (0.40) F2KAT6AF10PLAUCASR

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
EP-0511347-A1 META-SUBSTITUTED PHENYL ALANINE DERIVATIVES Pentapharm A.G. (CH) 1992-11-04 — — EP disclosed
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