SCHEMBL7096353

SCHEMBL7096353

COc1cc2cc[nH]c2cc1OCCN1CCCC1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.62
POLB P06746 1/20 0.51
EHMT2 Q96KQ7 5/20 0.51
EHMT1 Q9H9B1 4/20 0.51
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44

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
SCHEMBL7100163 0.99 LTA4H (0.61) LTA4HPOLBEHMT2EHMT1DRD2
SCHEMBL7172012 0.90 MAP3K11 (0.53) LTA4HEHMT2EHMT1DRD2DRD3
SCHEMBL7095054 0.89 SYK (0.53) LTA4HPOLBDRD2DRD3HTR2C
SCHEMBL8661974 0.84 EHMT2 (0.48) LTA4HEHMT2EHMT1DRD2DRD3
SCHEMBL7100140 0.82 LTA4H (0.62) LTA4HDRD2DRD3SMN1; SMN2TDP1
SCHEMBL4378567 0.79 ABCB11 (0.64) EHMT2EHMT1
SCHEMBL6431234 0.78 EHMT2 (0.53) EHMT2EHMT1
SCHEMBL1748737 0.78 TLR8 (0.60) LTA4HPOLBEHMT2
SCHEMBL17429741 0.77 PDE3B (0.50) POLB
SCHEMBL1545308 0.77 TLR8 (0.48) POLBEHMT2

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