SCHEMBL3789397

SCHEMBL3789397

CCCOc1cccc2ccoc12

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.46
CYP2A6 P11509 1/20 0.42
HTR1A P08908 1/20 0.41
SLC6A4 P31645 1/20 0.41
HTR1B P28222 2/20 0.40
TLR8 Q9NR97 1/20 0.40
CA9 Q16790 1/20 0.39
HTR1D P28221 1/20 0.39
F2RL3 Q96RI0 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
SCHEMBL3795511 0.92 MCHR1 (0.48) MCHR1HTR1ASLC6A4HTR1BHTR1D
SCHEMBL7928500 0.91 NCF1 (0.40) MCHR1HTR1ASLC6A4
SCHEMBL3796715 0.86 ADORA3 (0.49) CYP2A6CA9
SCHEMBL7834298 0.83 HTR1A (0.41) HTR1ASLC6A4HTR1B
SCHEMBL5215396 0.83 HTR1A (0.41) HTR1ASLC6A4HTR1B
SCHEMBL4313222 0.83 HTR1A (0.41) HTR1ASLC6A4HTR1BHTR1D
SCHEMBL4180176 0.83 HTR1B (0.54) HTR1ASLC6A4HTR1B
SCHEMBL7688315 0.79 SLC6A4 (0.42) MCHR1HTR1ASLC6A4HTR1B
SCHEMBL7928499 0.79 MCHR1 (0.32) MCHR1HTR1ASLC6A4
SCHEMBL23544480 0.77 GAA (0.45) HTR1ASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7645400-B2 Composition containing carbon nanotubes having a coating MITSUBISHI RAYON CO., LTD. (JP) 2010-01-12 US disclosed
US-20090321688-A1 Carbon Nanotube Composition, Composite Having a Coated Film Composed of the Same, and Their Production Methods MITSUBISHI RAYON CO., LTD. (JP) 2009-12-31 US disclosed
US-20060052509-A1 Composition containing carbon nanotubes having coating thereof and process for producing them MITSUBISHI RAYON CO., LTD. (JP) 2006-03-09 US disclosed
EP-1140896-A1 BENZOTHIEPIN-ANILIDE DERIVATIVES, THEIR PRODUCTION AND THEIR USE FOR ANTAGONIZING CCR-5 Takeda Chemical Industries, Ltd. (JP) 2001-10-10 EP disclosed
US-6235771-B1 AIDS THERPAY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed
WO-2000037455-A1 BENZOTHIEPIN-ANILIDE DERIVATIVES, THEIR PRODUCTION AND THEIR USE FOR ANTAGONIZING CCR-5 TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-06-29 WO disclosed