SCHEMBL6583554

SCHEMBL6583554

NC1CCN(c2cccc3c2OCC3)CC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.52
ADRA1A P35348 1/20 0.52
ADRA1B P35368 1/20 0.52
HTR1A P08908 5/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX12 P18054 1/20 0.44
MAPK1 P28482 1/20 0.44
PMP22 Q01453 1/20 0.44
PARP1 P09874 1/20 0.43
ADRB1 P08588 1/20 0.40

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
SCHEMBL6585026 0.91 HTR1A (0.50) ADRA1DADRA1AADRA1BHTR1AALDH1A1
SCHEMBL8123522 0.84 ADRA1D (0.57) ADRA1DADRA1AADRA1BHTR1AALDH1A1
Ammonia Solution, Strong SCHEMBL8123524 0.84 ADRA1D (0.51) ADRA1DADRA1AADRA1BHTR1AALDH1A1
SCHEMBL8128565 0.83 GAA (0.51) ADRA1DADRA1AADRA1BHTR1AALDH1A1
SCHEMBL8912824 0.81 ADRA1D (0.50) ADRA1DADRA1AADRA1BHTR1AALDH1A1
SCHEMBL6582931 0.80 ADRB1 (0.63) ADRA1DADRA1AADRA1BHTR1AALDH1A1
SCHEMBL9049827 0.80 DRD2 (0.54) ADRA1DADRA1AADRA1BHTR1AALDH1A1
SCHEMBL3605711 0.78 ADRB1 (0.65) ADRA1DADRA1AADRA1BHTR1AADRB1
SCHEMBL27370105 0.78 ADRA1D (0.49) ADRA1DADRA1AADRA1BHTR1AALDH1A1
Hydrochloric Acid SCHEMBL5223815 0.77 ADRB1 (0.63) ADRA1DADRA1AADRA1BHTR1AALDH1A1

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-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