SCHEMBL6589624

SCHEMBL6589624

CN1CC(CCN2CCN(c3cccc4c3OCCO4)CC2)c2ccccc21

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
Oxalic Acid SCHEMBL6589094 0.94 HTR1A (0.60)
SCHEMBL1037297 0.85
SCHEMBL1038535 0.85
SCHEMBL6591599 0.84 HTR1A (0.60)
SCHEMBL6588430 0.83
SCHEMBL6591927 0.82
SCHEMBL9175923 0.81
Oxalic Acid SCHEMBL6776732 0.80 HTR1A (0.55)
SCHEMBL9178367 0.79 ALDH1A1 (0.64)
SCHEMBL9176472 0.79

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1007523-B9 INDOLE AND 2,3-DIHYDROINDOLE DERIVATIVES, THEIR PREPARATION AND USE LUNDBECK & CO AS H (DK) 2004-09-08 EP claimed
EP-1007523-B1 INDOLE AND 2,3-DIHYDROINDOLE DERIVATIVES, THEIR PREPARATION AND USE LUNDBECK & CO AS H (DK) 2003-10-22 EP claimed
US-6476035-B1 Indole and 2,3-dihydroindole derivatives, their preparation and use H. LUNDBECK A/S (DK) 2002-11-05 US claimed
CN-1265107-A indole and 2, 3-indoline derivatives, their preparation and use LUNDBECK & CO AS H (DK) 2000-08-30 CN claimed
EP-1007523-B9 INDOLE AND 2,3-DIHYDROINDOLE DERIVATIVES, THEIR PREPARATION AND USE LUNDBECK & CO AS H (DK) 2004-09-08 EP disclosed
CN-1515569-A Indole and 2,3-indoline derivative, their preparation and application H.隆德贝克有限公司 2004-07-28 CN disclosed
CN-1515568-A Indole and 2,3-indoline derivative, their preparation and application H.隆德贝克有限公司 2004-07-28 CN disclosed
US-6727263-B2 SEROTONINE REUPTAKE INHIBITOR; ANTIDEPRESSANTS; SIDE EFFECT REDUCTION H. LUNDBECK A/S (DK) 2004-04-27 US disclosed
CN-1127501-C indole and 2, 3-indoline derivatives, their preparation and use LUNDBECK & CO AS H (DK) 2003-11-12 CN disclosed
EP-1007523-B1 INDOLE AND 2,3-DIHYDROINDOLE DERIVATIVES, THEIR PREPARATION AND USE LUNDBECK & CO AS H (DK) 2003-10-22 EP disclosed
US-20030018050-A1 Indole and 2,3-dihydroindole derivatives, their preparation and use H. LUNDBECK A/S (DK) 2003-01-23 US disclosed
US-6476035-B1 Indole and 2,3-dihydroindole derivatives, their preparation and use H. LUNDBECK A/S (DK) 2002-11-05 US disclosed
CN-1265107-A indole and 2, 3-indoline derivatives, their preparation and use LUNDBECK & CO AS H (DK) 2000-08-30 CN disclosed