SCHEMBL6962896

SCHEMBL6962896

O[C@@H]1c2ccccc2C[C@@H]1N1CCN(c2cccc3c2OCCO3)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 17/20 1.00
ALDH1A1 P00352 1/20 0.65
LMNA P02545 1/20 0.65
CYP3A4 P08684 1/20 0.65
ALOX12 P18054 1/20 0.65
MAPK1 P28482 1/20 0.65
PMP22 Q01453 1/20 0.65

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
SCHEMBL6962894 1.00 HTR1A (1.00) HTR1AALDH1A1LMNACYP3A4ALOX12
SCHEMBL6963912 1.00 HTR1A (1.00) HTR1AALDH1A1LMNACYP3A4ALOX12
SCHEMBL6962900 1.00 HTR1A (1.00) HTR1AALDH1A1LMNACYP3A4ALOX12
SCHEMBL6964918 0.87 HTR1A (1.00) HTR1A
SCHEMBL6973696 0.87 HTR1A (1.00) HTR1A
SCHEMBL6972638 0.87 HTR1A (0.79) HTR1AALDH1A1LMNACYP3A4ALOX12
SCHEMBL6972641 0.87 HTR1A (0.79) HTR1AALDH1A1LMNACYP3A4ALOX12
SCHEMBL6972644 0.87 HTR1A (0.79) HTR1AALDH1A1LMNACYP3A4ALOX12
SCHEMBL6964920 0.87 HTR1A (1.00) HTR1A
SCHEMBL6964927 0.87 HTR1A (1.00) HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0906912-B1 Indanol derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-01-08 EP disclosed
US-6060487-A Indanol compounds ADIR ET COMPAGNIE (FR) 2000-05-09 US disclosed
EP-0906912-A1 Indanol derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1999-04-07 EP disclosed