SCHEMBL7095054

SCHEMBL7095054

COc1cc2cc[nH]c2cc1OCCN1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.53
SRC P12931 2/20 0.49
LTA4H P09960 1/20 0.49
HTR2C P28335 2/20 0.47
HTR2B P41595 2/20 0.47
TSHR P16473 2/20 0.47
POLB P06746 1/20 0.47
CYP2D6 P10635 1/20 0.47
ADORA2A P29274 2/20 0.47
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45
MAP3K11 Q16584 1/20 0.45
KIT P10721 1/20 0.45
CHEK1 O14757 1/20 0.45
PDPK1 O15530 1/20 0.45

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 0.89 LTA4H (0.62) LTA4HHTR2CHTR2BPOLBADORA2A
SCHEMBL7100163 0.88 LTA4H (0.61) LTA4HHTR2CHTR2BPOLBADORA2A
SCHEMBL7172012 0.86 MAP3K11 (0.53) LTA4HDRD2DRD3MAP3K11KIT
SCHEMBL8661974 0.81 EHMT2 (0.48) SRCLTA4HDRD2DRD3
SCHEMBL21676385 0.80 SYK (0.55) SYKHTR2CHTR2BPOLBADORA2A
SCHEMBL6433993 0.80 SRC (0.56) SRCTSHRCYP2D6KITCHEK1
SCHEMBL4374046 0.79 SRC (0.54) SYKSRCKIT
SCHEMBL4125652 0.79 LTA4H (0.78) LTA4HDRD2DRD3
SCHEMBL13849354 0.77 SYK (0.64) SYKSRCHTR2CHTR2BTSHR
SCHEMBL12845584 0.77 SYK (0.64) SYKSRCHTR2CHTR2BTSHR

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