SCHEMBL9539762

SCHEMBL9539762

CCc1c(C)[nH]c2ccc[c]c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
MAPT P10636 3/20 0.42
CYP3A4 P08684 1/20 0.42
HSD17B10 Q99714 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 4/20 0.38
TSHR P16473 2/20 0.38
KDM4E B2RXH2 4/20 0.37
POLB P06746 1/20 0.37
HTR6 P50406 1/20 0.36
GAA P10253 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
MCL1 Q07820 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
AHR P35869 1/20 0.33
ALOX15 P16050 2/20 0.33
PABPC1 P11940 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33

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
SCHEMBL3078539 0.84 HTT (0.38) HTTMAPTCYP3A4ALDH1A1TSHR
SCHEMBL3482864 0.84 ALDH1A1 (0.44) HTTMAPTCYP3A4HSD17B10SMN1; SMN2
SCHEMBL9535445 0.82 HTT (0.33) HTTHTR6HTR2AHTR2C
SCHEMBL2074995 0.77 AHR (0.47) HTTMAPTCYP3A4SMN1; SMN2ALDH1A1
SCHEMBL9538070 0.75 HTT (0.30) HTTHSD17B10
SCHEMBL27736802 0.74 AHR (0.35) HTTMAPTCYP3A4HSD17B10ALDH1A1
SCHEMBL2388664 0.71 ALDH1A1 (0.39) HTTMAPTCYP3A4HSD17B10SMN1; SMN2
SCHEMBL3084755 0.70 TYMP (0.34)
SCHEMBL669111 0.69 HTT (0.73) HTTMAPTCYP3A4HSD17B10SMN1; SMN2
SCHEMBL3483297 0.69 SMN1; SMN2 (0.41) HTTMAPTCYP3A4HSD17B10SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5254595-A Aryloxypropanolaminotetralins, a process for their preparation and pharmaceutical compositions containing them ELF SANOFI (FR) 1993-10-19 US disclosed
EP-0375560-B1 ARYLOXYPROPANOLAMINOTETRALINES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME ELF SANOFI (FR) 1993-05-12 EP disclosed
EP-0375560-A1 Aryloxypropanolaminotetralines, process for their preparation and pharmaceutical compositions containing same ELF SANOFI (FR) 1990-06-27 EP disclosed
US-4863949-A CARDIOVASCULAR DISORDER TREATMENT BOEHRINGER MANNHEIM GMBH (DE) 1989-09-05 US disclosed
EP-0280951-A1 Amino-propanol derivatives, process for their preparation and medicines containing these compounds, as well as intermediates Roche Diagnostics GmbH (DE) 1988-09-07 EP disclosed
EP-0200915-A1 Aminopropanol derivatives, process for their preparation, their use and medicines containing them Roche Diagnostics GmbH (DE) 1986-11-12 EP disclosed
EP-0004532-B1 1-ARYLOXY-3-NITRATOALKYLAMINO-2-PROPANOLS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS MERCK PATENT GmbH (DE) 1981-10-14 EP disclosed
US-4288452-A 1-Aryloxy-3-nitratoalkylamino-2-propanols and use as β-receptor blocker MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1981-09-08 US disclosed
EP-0004532-A1 1-Aryloxy-3-nitratoalkylamino-2-propanols, process for their preparation and pharmaceutical compositions MERCK PATENT GmbH (DE) 1979-10-17 EP disclosed