SCHEMBL8554844

SCHEMBL8554844

O=c1oc2ccccc2n1CCCCBr

nearest known ligand 0.81

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.81
NPSR1 Q6W5P4 1/20 0.81
TSHR P16473 4/20 0.67
USP2 O75604 2/20 0.67
HPGD P15428 2/20 0.67
RAB9A P51151 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
MAPK1 P28482 2/20 0.62
LMNA P02545 1/20 0.62

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
SCHEMBL2150045 0.95 ALDH1A1 (0.78) ALDH1A1NPSR1TSHRUSP2HPGD
SCHEMBL30416948 0.88 ALDH1A1 (0.72) ALDH1A1NPSR1TSHRUSP2HPGD
SCHEMBL6639178 0.88 ALDH1A1 (0.72) ALDH1A1NPSR1TSHRUSP2HPGD
SCHEMBL2149364 0.84 ALDH1A1 (0.81) ALDH1A1NPSR1TSHRUSP2HPGD
SCHEMBL5544569 0.84 ALDH1A1 (0.81) ALDH1A1NPSR1TSHRUSP2HPGD
SCHEMBL5503439 0.84 ALDH1A1 (0.81) ALDH1A1NPSR1TSHRUSP2HPGD
SCHEMBL25320405 0.83 ALDH1A1 (0.84) ALDH1A1NPSR1TSHRUSP2HPGD
SCHEMBL12124769 0.83 HTR1A (0.82)
SCHEMBL5545702 0.83 ALDH1A1 (0.84) ALDH1A1NPSR1TSHRUSP2HPGD
SCHEMBL14288460 0.83 ALDH1A1 (0.84) ALDH1A1NPSR1TSHRUSP2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0564358-B1 3-aminochromane spiro derivatives, processes for their preparation and pharmaceutical compositions containing them ADIR (FR) 1998-11-04 EP disclosed
US-5420150-A Antidepressants and treatment of anxiety GUILLAUMET GERALD (FR) 1995-05-30 US disclosed
US-5397783-A Antidepressants, anxiolytic agents ADIR ET COMPAGNIE (FR) 1995-03-14 US disclosed
US-5376661-A Psychological disorders ADIR ET COMPAGNIE (FR) 1994-12-27 US disclosed
EP-0564358-A1 3-aminochromane spiro derivatives, processes for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1993-10-06 EP disclosed