SCHEMBL7510227

SCHEMBL7510227

COc1ccccc1C[C@@H]1COC(C)(C)O1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.46
ADRA1A P35348 6/20 0.46
ADRA1B P35368 6/20 0.46
ADRA1D P25100 6/20 0.46
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
CYP2D6 P10635 1/20 0.40
SIGMAR1 Q99720 3/20 0.39
TMEM97 Q5BJF2 2/20 0.39
IDO1 P14902 2/20 0.39
TAAR1 Q96RJ0 1/20 0.39
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38

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
SCHEMBL7510228 1.00 HTR1A (0.46) HTR1AADRA1AADRA1BADRA1DHCRTR1
SCHEMBL10713434 0.83 ALDH1A1 (0.52) HTR1AADRA1ASIGMAR1TMEM97
SCHEMBL14188914 0.83 HTR2C (0.42) HTR1AADRA1AADRA1BADRA1DSIGMAR1
SCHEMBL11873710 0.81 TMEM97 (0.42) HCRTR1HCRTR2CYP2D6SIGMAR1TMEM97
SCHEMBL4982940 0.81 ADRA1D (0.36) HTR1AADRA1AADRA1BADRA1DHCRTR1
SCHEMBL4983803 0.81 TMEM97 (0.40) HTR1AADRA1AADRA1BADRA1DHCRTR1
SCHEMBL4981417 0.81 PYCR1 (0.39) HCRTR1HCRTR2
SCHEMBL14403019 0.81 CA2 (0.34) HTR1AADRA1AADRA1BADRA1DHCRTR1
SCHEMBL4979407 0.81 MAPT (0.44)
SCHEMBL14188913 0.80 HTR1A (0.38) HTR1AADRA1AADRA1BADRA1DHCRTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946561-B1 TRIAZOLO(4,5-D)PYRIMIDINYL DERIVATIVES AND THEIR USE AS MEDICAMENTS ASTRAZENECA AB (SE) 2002-02-13 EP disclosed
EP-0634408-B1 DEPSIPEPTIDE DERIVATIVE, PRODUCTION THEREOF AND USE THEREOF FUJISAWA PHARMACEUTICAL CO (JP) 2002-01-02 EP disclosed
US-6297232-B1 TREATMENT OF PLATELET AGGREGATION DISORDERS. ASTRAZENECA AB (SE) 2001-10-02 US disclosed
CN-1039331-C Depsispeptide derivative, preparation and application of same FUJISAMA PHARMACEUTICAL CO LTD (JP) 1998-07-29 CN disclosed
US-5514773-A PARASITICIDES, ANTHELMINTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-07 US disclosed
EP-0634408-A1 DEPSIPEPTIDE DERIVATIVE, PRODUCTION THEREOF AND USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-01-18 EP disclosed
CN-1080932-A Depsipeptide derivative and manufacture method thereof and purposes FUJISAWA PHARMACEUTICAL CO (JP) 1994-01-19 CN disclosed