SCHEMBL7849159

SCHEMBL7849159

CC(Cc1c[nH]c2ccccc12)C(=O)NCC1(c2ccccc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 8/20 0.68
FPR1 P21462 3/20 0.68
POLB P06746 2/20 0.59
KDM4E B2RXH2 2/20 0.59
MAPT P10636 2/20 0.59
APAF1 O14727 1/20 0.59
RECQL P46063 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
CTDSP1 Q9GZU7 1/20 0.58
MEN1 O00255 1/20 0.57
ALDH1A1 P00352 1/20 0.57
CYP3A4 P08684 1/20 0.57
ALOX15 P16050 1/20 0.57
TSHR P16473 1/20 0.57
MAPK1 P28482 1/20 0.57
KMT2A Q03164 1/20 0.57
HSD17B10 Q99714 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
ACE P12821 2/20 0.51
DRD2 P14416 1/20 0.51

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 0.84 POLB (0.58) FPR2FPR1POLBKDM4EMAPT
SCHEMBL7678106 0.84 FPR2 (0.51) FPR2FPR1POLBKDM4EMAPT
SCHEMBL19242806 0.83 FPR2 (0.63) FPR2FPR1KDM4EMAPTMEN1
SCHEMBL19242805 0.83 FPR2 (0.63) FPR2FPR1KDM4EMAPTMEN1
SCHEMBL7844667 0.80 POLB (0.61) FPR2FPR1POLBKDM4EMAPT
SCHEMBL7838780 0.80 POLB (0.73) POLBKDM4EMAPTAPAF1RECQL
SCHEMBL7204980 0.80 FPR2 (0.66) FPR2FPR1POLBCTDSP1NMBR
SCHEMBL17017538 0.80 POLB (0.69) POLBKDM4EMAPTAPAF1RECQL
SCHEMBL7674795 0.79 POLB (0.57) FPR2FPR1POLBKDM4EMAPT
SCHEMBL7671737 0.78 MAPT (0.66) POLBKDM4EMAPTAPAF1RECQL

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