SCHEMBL5580149

SCHEMBL5580149

O=C(NC(Cc1ccccc1)(Cc1ccc([N+](=O)[O-])cc1)C(=O)O)c1cccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 8/20 0.49
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 2/20 0.44
GAA P10253 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
NR1H4 Q96RI1 1/20 0.43
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
WDR5 P61964 1/20 0.42

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
SCHEMBL5580151 1.00 CCR3 (0.49) CCR3MEN1KMT2AMAPTGAA
SCHEMBL5580159 0.93 CCR3 (0.49) CCR3MEN1KMT2AMAPTGAA
SCHEMBL5580161 0.93 CCR3 (0.49) CCR3MEN1KMT2AMAPTGAA
SCHEMBL5580414 0.86 CCR3 (0.48) CCR3MEN1KMT2AMAPTGAA
SCHEMBL5580412 0.86 CCR3 (0.48) CCR3MEN1KMT2AMAPTGAA
SCHEMBL5580156 0.84 CCR3 (0.49) CCR3MEN1KMT2AMAPTGAA
SCHEMBL5580160 0.84 CCR3 (0.49) CCR3MEN1KMT2AMAPTGAA
SCHEMBL5580183 0.77 DEGS1 (0.49) MEN1KMT2ANR1H4NPC1ALDH1A1
SCHEMBL5580180 0.77 DEGS1 (0.49) MEN1KMT2ANR1H4NPC1ALDH1A1
SCHEMBL5580154 0.76 DRD4 (0.49) MEN1KMT2AMAPTNR1H4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6420424-B1 ADMINISTERING PHENYLALANINE AMIDE DERIVATIVES (SUCH AS S-ETHYL-2-AMINO-3-(4-CHLOROPHENYL)PROPIONATE HYDROCHLORIDE) TO TREAT ALLERGIC DISORDERS, INCLUDING ASTHMA, RHINITIS, DERMATITUS, AND PRURITIS SMITHKLINE BEECHAM CORPORATION 2002-07-16 US claimed
JP-2002512960-A 2002-05-08 JP claimed
EP-1073434-A1 CCR-3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-02-07 EP claimed
WO-1999055330-A1 CCR-3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-11-04 WO claimed
US-20070249915-A1 Inhibitors SHISEIDO COMPANY, LTD. (JP) 2007-10-25 US disclosed
US-6420424-B1 ADMINISTERING PHENYLALANINE AMIDE DERIVATIVES (SUCH AS S-ETHYL-2-AMINO-3-(4-CHLOROPHENYL)PROPIONATE HYDROCHLORIDE) TO TREAT ALLERGIC DISORDERS, INCLUDING ASTHMA, RHINITIS, DERMATITUS, AND PRURITIS SMITHKLINE BEECHAM CORPORATION 2002-07-16 US disclosed
EP-1073434-A1 CCR-3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2001-02-07 EP disclosed
WO-1999055330-A1 CCR-3 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-11-04 WO disclosed