SCHEMBL8750708

SCHEMBL8750708

CCC[N]c1ccc(C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.40
ACHE P22303 2/20 0.40
NOS3 P29474 2/20 0.39
NOS1 P29475 2/20 0.39
NOS2 P35228 2/20 0.39
HTR3E A5X5Y0 2/20 0.39
HTR3B O95264 2/20 0.39
HTR3A P46098 2/20 0.39
HTR3D Q70Z44 2/20 0.39
HTR3C Q8WXA8 2/20 0.39
SLC22A2 O15244 1/20 0.39
SLC22A1 O15245 1/20 0.39
SLC22A3 O75751 1/20 0.39
PLAU P00749 1/20 0.39
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
SCN5A Q14524 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
SCHEMBL7794055 0.86 SCN5A (0.44) TDP1ACHENOS3NOS1NOS2
SCHEMBL5609745 0.79 ACHE (0.44) TDP1ACHENOS3NOS1NOS2
SCHEMBL7789999 0.78 HTR3E (0.43) TDP1ACHENOS3NOS1NOS2
SCHEMBL95534 0.77 ALDH1A1 (0.41) TDP1ACHENOS3NOS1NOS2
SCHEMBL5509601 0.73 NOS3 (0.41) NOS3NOS1NOS2CYP2D6CYP2C9
SCHEMBL6746254 0.73 ALDH1A1 (0.38) TDP1ACHENOS3NOS1NOS2
SCHEMBL18245360 0.72 NOS3 (0.34) TDP1ACHENOS3NOS1NOS2
SCHEMBL7794560 0.72 ALDH1A1 (0.36) TDP1ACHEHTR3EHTR3BHTR3A
P-Xylene SCHEMBL28331001 0.71 ACHE (0.67) TDP1ACHEMAPTIDO1ALDH1A1
SCHEMBL2093802 0.70 NOS3 (0.34) NOS3NOS1NOS2CYP2C9ADRA2A

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-0552925-B1 Equilibration of cyclic siloxanes with catalysts DOW CORNING (US) 1997-04-09 EP disclosed
EP-0552925-A2 Equilibration of cyclic siloxanes with novel catalysts DOW CORNING CORPORATION (US) 1993-07-28 EP disclosed
US-5196559-A Rearrangement to yield higher molecular weight DOW CORNING CORPORATION (US) 1993-03-23 US disclosed
US-4576753-A MICROBIOCIDES, ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-03-18 US disclosed
US-4472309-A ANTIMICROBIAL FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-09-18 US disclosed
US-4304718-A ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-12-08 US disclosed
US-4181800-A ANTIBIOTICS FROM SUBSTITUTED PERHYDRO-S-TRIAZINES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-01-01 US disclosed