SCHEMBL4744946

SCHEMBL4744946

[CH]1CNOc2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.33
ITGB2 P05107 1/20 0.33
ICAM1 P05362 1/20 0.33
ITGAL P20701 1/20 0.33
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
LMNA P02545 2/20 0.30
CRHBP P24387 2/20 0.30
CRHR2 Q13324 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
ALOX5 P09917 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL449144 0.78 HTR2C (0.36) ABCG2ITGB2ICAM1ITGALHTR2C
SCHEMBL30563750 0.78 HTR2C (0.36) ABCG2ITGB2ICAM1ITGALHTR2C
SCHEMBL23727987 0.64
SCHEMBL158578 0.64
SCHEMBL3074957 0.62 ALOX5 (0.37) ABCG2ITGB2ICAM1ITGALALOX5
SCHEMBL30484685 0.62
SCHEMBL186955 0.62
SCHEMBL3662203 0.60 MAPT (0.37) HTR2CHTR2BALOX5
SCHEMBL8924 0.60 MAPT (0.37) HTR2CHTR2BALOX5
SCHEMBL131072 0.60 ITGB2 (0.52) ABCG2ITGB2ICAM1ITGALLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3292104-A1 CYCLOPROPANE CARBOXYLIC ACID DERIVATIVES AND PHARMACEUTICAL USES THEREOF Astrazeneca AB (SE) 2018-03-14 EP disclosed
WO-2016177845-A1 CYCLOPROPANE CARBOXYLIC ACID DERIVATIVES AND PHARMACEUTICAL USES THEREOF ASTRAZENECA AB (SE) 2016-11-10 WO disclosed
WO-2008099165-A1 PIPERIDINE DERIVATIVES AND THEIR USE FOR TREATMENT OF CCR8 MEDIATED DISEASES ASTRAZENECA AB (SE) 2008-08-21 WO disclosed