SCHEMBL7847660

SCHEMBL7847660

CCOc1c(OC)c[c]cc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
HTR2B P41595 1/20 0.48
TUBB1 Q9H4B7 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
BPTF Q12830 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TSHR P16473 2/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
SRC P12931 2/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36

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
SCHEMBL10461617 0.87 PTGS2 (0.42) HTR2AHTR2CHTR2BTUBB1TSHR
SCHEMBL1298892 0.86 MITF (0.39) HTR2AHTR2CHTR2BSMN1; SMN2MEN1
SCHEMBL27863792 0.86 HTR2A (0.42) HTR2AHTR2CHTR2BTUBB1SMN1; SMN2
SCHEMBL294484 0.86 TSHR (0.44) HTR2AHTR2CHTR2BTUBB1SMN1; SMN2
SCHEMBL7847500 0.83 SMN1; SMN2 (0.45) HTR2AHTR2CHTR2BTUBB1SMN1; SMN2
SCHEMBL7844096 0.81 SMN1; SMN2 (0.48) SMN1; SMN2SRC
SCHEMBL8886698 0.80 SMN1; SMN2 (0.38) HTR2AHTR2CHTR2BTUBB1SMN1; SMN2
SCHEMBL7835713 0.79 SMN1; SMN2 (0.47) SMN1; SMN2SRC
SCHEMBL20746608 0.78 KDM4E (0.39) HTR2AHTR2CHTR2BSMN1; SMN2TSHR
SCHEMBL7844847 0.78 SMN1; SMN2 (0.46) SMN1; SMN2SRC

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
US-5753663-A 5HT2C ANTAGONIST, USEFUL FOR TREATING ANXIETY, PAIN, OBSESSIVE COMPULSIVE DISORDER, ALCOHOLISM, DEPRESSION, MIGRAINE, SLEEP DISORDER, ANOREXIA NERVOSA AND PRIAPISM SYNTEX (U.S.A.) INC. (US) 1998-05-19 US claimed
EP-0714898-B1 PYRAZOLO [1,5-a]PYRIMIDINE DERIVATIVE OTSUKA PHARMA CO LTD (JP) 2001-11-14 EP disclosed
US-5707997-A ANALGESICS OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1998-01-13 US disclosed
EP-0714898-A1 PYRAZOLO [1,5-a]PYRIMIDINE DERIVATIVE OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1996-06-05 EP disclosed
EP-0284359-B1 1,4-DISUBSTITUTED PIPERAZINE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1992-01-08 EP disclosed
US-4880809-A HYPOTENSIVE AGENTS, AMIDE DERIVATIVES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-11-14 US disclosed
EP-0284359-A1 1,4-Disubstituted piperazine compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1988-09-28 EP disclosed