SCHEMBL7596933

SCHEMBL7596933

CC1CN(Cc2ccccc2)CC=C1c1ccc(Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.44
ACHE P22303 3/20 0.42
BCHE P06276 2/20 0.42
BACE1 P56817 2/20 0.42
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
DUSP3 P51452 1/20 0.41
PTPN5 P54829 1/20 0.41
PTPN11 Q06124 1/20 0.41
CHRM2 P08172 1/20 0.39
CHRM3 P20309 1/20 0.39
IGF1R P08069 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
CHRNA7 P36544 1/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL7596934 1.00 RORC (0.44) RORCACHEBCHEBACE1ALDH1A1
SCHEMBL4602297 0.90 ACHE (0.46) ACHECHRM2CHRM3LMNA
SCHEMBL6043648 0.86 ACHE (0.42) ACHEBCHEBACE1MAPK1
SCHEMBL6043641 0.86 ACHE (0.42) ACHEBCHEBACE1MAPK1
SCHEMBL27502934 0.83 RORC (0.41) RORCACHEBCHEBACE1ALDH1A1
SCHEMBL6041242 0.82 ALDH1A1 (0.45) RORCACHEBCHEBACE1ALDH1A1
SCHEMBL6041243 0.82 ALDH1A1 (0.45) RORCACHEBCHEBACE1ALDH1A1
SCHEMBL6043311 0.81 RORC (0.40) RORCACHEBCHEBACE1ALDH1A1
SCHEMBL6043305 0.81 RORC (0.40) RORCACHEBCHEBACE1ALDH1A1
SCHEMBL7138824 0.76 ALDH1A1 (0.47) ACHEBCHEALDH1A1HPGDCHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002076440-A2 METHODS OF TREATING ALZHEIMER'S DISEASE WITH PIPERIDIN DERIVATES ELAN PHARMACEUTICALS, INC. (US) 2002-10-03 WO disclosed