SCHEMBL7844667

SCHEMBL7844667

CC(Cc1c[nH]c2ccccc12)C(=O)NCC1(C)OCCO1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.61
CTDSP1 Q9GZU7 1/20 0.61
KDM4E B2RXH2 2/20 0.56
MAPT P10636 2/20 0.56
APAF1 O14727 1/20 0.56
RECQL P46063 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
MEN1 O00255 2/20 0.54
TSHR P16473 2/20 0.54
KMT2A Q03164 2/20 0.54
ALOX15 P16050 2/20 0.54
ALDH1A1 P00352 2/20 0.54
CYP3A4 P08684 1/20 0.54
MAPK1 P28482 1/20 0.54
HSD17B10 Q99714 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
ACE P12821 2/20 0.48
MMP9 P14780 3/20 0.48
MMP8 P22894 3/20 0.48
MMP1 P03956 1/20 0.48

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
SCHEMBL7852693 0.86 POLB (0.58) POLBCTDSP1KDM4EMAPTAPAF1
SCHEMBL7674795 0.85 POLB (0.57) POLBCTDSP1KDM4EMAPTAPAF1
SCHEMBL7849159 0.80 FPR2 (0.68) POLBCTDSP1KDM4EMAPTAPAF1
SCHEMBL23380924 0.80 POLB (0.66) POLBCTDSP1KDM4EMAPTAPAF1
SCHEMBL17017538 0.80 POLB (0.69) POLBCTDSP1KDM4EMAPTAPAF1
SCHEMBL7838780 0.78 POLB (0.73) POLBCTDSP1KDM4EMAPTAPAF1
SCHEMBL20713624 0.77 POLB (0.72) POLBCTDSP1KDM4EMAPTAPAF1
SCHEMBL7678071 0.77 KDM4E (0.67) POLBCTDSP1KDM4EMAPTAPAF1
SCHEMBL7854107 0.76 KDM4E (0.70) POLBCTDSP1KDM4EMAPTAPAF1
SCHEMBL12358205 0.76 MAPT (0.70) POLBCTDSP1KDM4EMAPTAPAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140914-A1 NON-PEPTIDE NK1 RECEPTORS ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2001-10-10 EP disclosed
WO-2000037462-A1 NON-PEPTIDE NK1 RECEPTORS ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2000-06-29 WO disclosed