SCHEMBL7172012

SCHEMBL7172012

COc1cc2cc[nH]c2cc1OCCN1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP3K11 Q16584 1/20 0.53
LTA4H P09960 3/20 0.50
DRD3 P35462 2/20 0.46
DRD2 P14416 1/20 0.46
HTR1A P08908 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
KIT P10721 1/20 0.42
RET P07949 1/20 0.42
MAPK14 Q16539 1/20 0.42
TLR9 Q9NR96 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
EHMT2 Q96KQ7 1/20 0.41
EHMT1 Q9H9B1 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL7096353 0.90 LTA4H (0.62) LTA4HDRD3DRD2EHMT2EHMT1
SCHEMBL7100163 0.89 LTA4H (0.61) LTA4HDRD3DRD2EHMT2EHMT1
SCHEMBL7095054 0.86 SYK (0.53) MAP3K11LTA4HDRD3DRD2KIT
SCHEMBL8661974 0.81 EHMT2 (0.48) LTA4HDRD3DRD2MAPK14EHMT2
SCHEMBL2531824 0.78 MAP3K11 (0.56) MAP3K11LTA4HKITMAPK14TLR7
SCHEMBL11817599 0.76 KDM4E (0.58) LTA4HKDM4EGAA
SCHEMBL1748737 0.76 TLR8 (0.60) LTA4HRETMAPK14TLR7EHMT2
SCHEMBL3436048 0.76 POLB (0.55) LTA4HDRD3DRD2HTR1AKDM4E
SCHEMBL17429741 0.76 PDE3B (0.50) RETTLR7KDM4E
SCHEMBL1544861 0.76 TLR8 (0.48) MAP3K11RETMAPK14TLR7EHMT2

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-1309551-A1 INDOLINE DERIVATIVES AS 5HT2C ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2003-05-14 EP disclosed
WO-2002014273-A1 INDOLINE DERIVATIVES AS 5HT2C ANTAGONISTS SMITHKLINE BEECHAM P.L.C. (GB) 2002-02-21 WO disclosed