SCHEMBL3791996

SCHEMBL3791996

CCCOc1cccc2sccc12

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.45
PDE5A O76074 2/20 0.44
HTR1B P28222 7/20 0.40
MCHR1 Q99705 1/20 0.40
HTR1D P28221 3/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL3797699 0.92 CYP1A2 (0.46) CYP2A6PDE5AHTR1BMCHR1HTR1D
SCHEMBL827357 0.86 ALDH1A1 (0.45) CYP2A6HTTMEN1KMT2A
SCHEMBL8780093 0.81 CNR2 (0.40) HTR1BHTR1DCNR1CNR2CYP1A2
SCHEMBL8780247 0.80 KCNA3 (0.38) HTR1BMEN1KMT2A
SCHEMBL5584260 0.79 PTPN1 (0.36) CYP1A2CYP2C19MEN1KMT2A
SCHEMBL7692757 0.79 NCF1 (0.38) HTR1BMEN1KMT2A
SCHEMBL914916 0.78 NR2E1 (0.37) HTR1BCYP1A2CYP2C9CYP2C19MEN1
SCHEMBL8863052 0.77 CYP2A6 (0.56) CYP2A6HTR1BMCHR1HTR1DCNR1
SCHEMBL30503979 0.77 CYP2A6 (0.56) CYP2A6HTR1BMCHR1HTR1DCNR1
SCHEMBL7694129 0.76 NCF1 (0.37) HTR1BMCHR1MEN1KMT2A

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 3 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