SCHEMBL16742500

SCHEMBL16742500

O=C(CCc1ccccc1)NCc1nnn[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.53
CYP2C9 P11712 2/20 0.53
HPGD P15428 2/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C19 P33261 1/20 0.53
ALOX15 P16050 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
ALDH1A1 P00352 2/20 0.51
TRPV1 Q8NER1 1/20 0.50
HCAR2 Q8TDS4 1/20 0.50
ERCC1 P07992 1/20 0.50
ERCC4 Q92889 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
HDAC2 Q92769 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
GAA P10253 2/20 0.47
TNKS2 Q9H2K2 1/20 0.47
ALPL P05186 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL18956292 0.92 TRPV1 (0.56) HPGDALDH1A1TRPV1L3MBTL1HDAC2
SCHEMBL18956278 0.91 MEN1 (0.52) TRPV1HDAC2GAATSHRMEN1
SCHEMBL8523258 0.82 MEN1 (0.62) ALDH1A1TRPV1GAAMEN1KMT2A
SCHEMBL8843536 0.78 HDAC3 (0.43) CYP1A2CYP2C9CYP3A4CYP2C19TDP1
SCHEMBL18064431 0.77 ALDH1A1 (0.40) CYP2C9HPGDCYP2C19ALDH1A1HCAR2
SCHEMBL1661081 0.77 TRPV1 (0.76) CYP1A2CYP2C9HPGDCYP3A4CYP2C19
SCHEMBL2660078 0.77 GAA (0.49) HPGDALDH1A1ERCC1ERCC4HDAC2
SCHEMBL11293971 0.76 HPGD (0.51) CYP2C9HPGDCYP2C19TDP1ALDH1A1
SCHEMBL16921897 0.75 NPC1 (0.47) HPGDALDH1A1MEN1KMT2A
SCHEMBL15315287 0.75 HTT (0.44) HPGDALDH1A1HDAC8HDAC6GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3071548-A1 PHENYLCARBAMATE DERIVATIVES AS FORMYL PEPTIDE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2016-09-28 EP claimed
WO-2015077451-A1 PHENYLCARBAMATE DERIVATIVES AS FORMYL PEPTIDE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2015-05-28 WO claimed
EP-3071548-A1 PHENYLCARBAMATE DERIVATIVES AS FORMYL PEPTIDE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2016-09-28 EP disclosed
WO-2015077451-A1 PHENYLCARBAMATE DERIVATIVES AS FORMYL PEPTIDE RECEPTOR MODULATORS ALLERGAN, INC. (US) 2015-05-28 WO disclosed