SCHEMBL6584182

SCHEMBL6584182

CNC1CCN(c2cccc3c2OCCO3)CC1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.58
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
CYP3A4 P08684 1/20 0.54
HTR1A P08908 1/20 0.54
ALOX12 P18054 1/20 0.54
MAPK1 P28482 1/20 0.54
PMP22 Q01453 1/20 0.54
ADRA1D P25100 1/20 0.53
ADRA1A P35348 1/20 0.53
ADRA1B P35368 1/20 0.53

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
Ammonia Solution, Strong SCHEMBL9034232 0.82 ADRB1 (0.61) ADRB1ALDH1A1LMNACYP3A4HTR1A
SCHEMBL6582302 0.82 HTR1A (0.64) ADRB1ALDH1A1LMNACYP3A4HTR1A
SCHEMBL6583413 0.81 ADRB1 (0.50) ADRB1ALDH1A1LMNACYP3A4HTR1A
SCHEMBL6582931 0.81 ADRB1 (0.63) ADRB1ALDH1A1LMNACYP3A4HTR1A
SCHEMBL8480725 0.79 HTR1A (0.60) ADRB1ALDH1A1LMNACYP3A4HTR1A
SCHEMBL6582110 0.79 MTNR1A (0.74)
SCHEMBL6582109 0.79 MTNR1A (0.74)
SCHEMBL6582386 0.79 ADRB1 (0.48) ADRB1ALDH1A1LMNACYP3A4HTR1A
SCHEMBL6581720 0.79 HTR1A (0.49) ADRB1ALDH1A1LMNACYP3A4HTR1A
SCHEMBL6579808 0.78 MTNR1A (0.73)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0861837-B1 2-Aminoindane derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2004-04-28 EP disclosed
US-5968954-A EXHIBIT SELECTIVE BINDING AFFINITY FOR 5-HYDROXYTRYPTAMINE RECEPTORS ADIR ET COMPAGNIE (FR) 1999-10-19 US disclosed
EP-0861837-A1 2-Aminoindane derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1998-09-02 EP disclosed
US-5767116-A TREATING PSYCHOSES KNOLL ATKIENGESELLSCHAFT (DE) 1998-06-16 US disclosed