SCHEMBL2334040

SCHEMBL2334040

Nc1ccccc1OC1CCNCC1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 5/20 0.62
HTR1A P08908 5/20 0.57
SLC6A2 P23975 5/20 0.57
SLC6A3 Q01959 2/20 0.57
ALOX5AP P20292 1/20 0.44
FEN1 P39748 1/20 0.44
SLC6A4 P31645 2/20 0.42
ROCK1 Q13464 1/20 0.42
HTR2C P28335 1/20 0.42
KHK P50053 1/20 0.42
NMT1 P30419 1/20 0.42

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
SCHEMBL6905082 0.86 ALDH1A1 (0.48) HRH1HTR1ASLC6A2SLC6A3SLC6A4
SCHEMBL1134126 0.82 MCHR1 (0.50) HRH1HTR1ASLC6A2SLC6A3
SCHEMBL29527476 0.81 MCHR1 (0.53) HRH1
SCHEMBL3799059 0.81 MCHR1 (0.53) HRH1
SCHEMBL17738695 0.80 HRH1 (0.49) HRH1HTR1ASLC6A2SLC6A3SLC6A4
Aniline SCHEMBL22169159 0.79 ALDH1A1 (0.42) HRH1HTR1ASLC6A2SLC6A3SLC6A4
SCHEMBL234010 0.78 SLC6A2 (0.81) HRH1HTR1ASLC6A2SLC6A3SLC6A4
SCHEMBL3798831 0.78 KAT2B (0.53) HRH1
SCHEMBL358791 0.78 ALDH1A1 (0.41) HRH1HTR1ASLC6A2SLC6A3
SCHEMBL82955 0.78 HRH1 (0.62) HRH1HTR1ASLC6A2SLC6A3SLC6A4

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-2358697-A1 Isoindoline compounds for use in the treatment of cancer CELGENE CORPORATION (US) 2011-08-24 EP disclosed
WO-2010053732-A1 ISOINDOLINE COMPOUNDS FOR USE IN THE TREATMENT OF CANCER CELGENE CORPORATION (US) 2010-05-14 WO disclosed
US-4810792-A HYPOTENSIVE AGENTS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1989-03-07 US disclosed
US-4788201-A HYPOTENSIVE AGENTS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1988-11-29 US disclosed
EP-0275962-A2 3-Methylenespiro [benzofuran-piperidines], intermediates and a process for the preparation thereof, and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1988-07-27 EP disclosed