SCHEMBL8548213

SCHEMBL8548213

CN(C1CCN(c2cccc3c2OCCO3)CC1)C1Cc2ccccc2C1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.62
ALDH1A1 P00352 1/20 0.62
LMNA P02545 1/20 0.62
CYP3A4 P08684 1/20 0.62
ALOX12 P18054 1/20 0.62
MAPK1 P28482 1/20 0.62
PMP22 Q01453 1/20 0.62
ADRB1 P08588 1/20 0.52

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
SCHEMBL6582302 0.82 HTR1A (0.64) HTR1AALDH1A1LMNACYP3A4ALOX12
SCHEMBL8482922 0.80 HTR1A (0.39) HTR1AALDH1A1LMNACYP3A4ALOX12
SCHEMBL8480725 0.79 HTR1A (0.60) HTR1AALDH1A1LMNACYP3A4ALOX12
Ammonia Solution, Strong SCHEMBL9034232 0.77 ADRB1 (0.61) HTR1AALDH1A1LMNACYP3A4ALOX12
SCHEMBL29391664 0.76 HTR1A (1.00) HTR1AALDH1A1LMNACYP3A4ALOX12
SCHEMBL1650175 0.76 HTR1A (1.00) HTR1AALDH1A1LMNACYP3A4ALOX12
SCHEMBL29451116 0.76 HTR1A (1.00) HTR1AALDH1A1LMNACYP3A4ALOX12
SCHEMBL6582931 0.76 ADRB1 (0.63) HTR1AALDH1A1LMNACYP3A4ALOX12
SCHEMBL13499602 0.75 ADRB1 (0.67) HTR1AALDH1A1LMNACYP3A4ALOX12
SCHEMBL31051847 0.75 ADRB1 (0.67) HTR1AALDH1A1LMNACYP3A4ALOX12

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-0861837-A1 2-Aminoindane derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1998-09-02 EP claimed
EP-0861837-A1 2-Aminoindane derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1998-09-02 EP disclosed