SCHEMBL7097649

SCHEMBL7097649

COc1cc2c(cc1OCCN1CCCCC1)NCC2

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 1/20 0.55
HRH3 Q9Y5N1 4/20 0.53
PDE4D Q08499 1/20 0.48
LTA4H P09960 1/20 0.46
ACHE P22303 1/20 0.46
CHRNA7 P36544 1/20 0.46
POLB P06746 1/20 0.46
CHEK1 O14757 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
SCHEMBL7092953 0.99 EHMT2 (0.56) EHMT2HRH3PDE4DLTA4HACHE
SCHEMBL7094017 0.88 SYK (0.52) EHMT2ACHEPOLBCHEK1
SCHEMBL7094760 0.84 HRH3 (0.52) EHMT2HRH3
SCHEMBL7094592 0.84 HRH3 (0.54) EHMT2HRH3LTA4H
SCHEMBL7096511 0.84 HRH3 (0.54) EHMT2HRH3
SCHEMBL7094945 0.81 HRH3 (0.51) EHMT2HRH3LTA4H
SCHEMBL7094490 0.81 HRH3 (0.51) EHMT2HRH3
SCHEMBL7095121 0.80 RXFP1 (0.42) EHMT2
Hydrochloric Acid SCHEMBL7092902 0.78 MEN1 (0.40) EHMT2POLBCHEK1
SCHEMBL5564105 0.78 MAOA (0.49) CHRNA7

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