SCHEMBL4342149

SCHEMBL4342149

CCC(C)N=C=NCCCN

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31

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
Hydrochloric Acid SCHEMBL3106048 0.98 TRPA1 (0.39) TRPA1TRPV1
SCHEMBL3832951 0.77 CYP1A2 (0.58) TRPA1TRPV1CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL3915191 0.76 CYP1A2 (0.56) TRPA1TRPV1CYP1A2CYP2D6
SCHEMBL287060 0.73
SCHEMBL28833935 0.72 CYP1A2 (0.40) CYP1A2CYP2D6
SCHEMBL1443233 0.72
SCHEMBL6130559 0.71 TRPA1 (0.39) TRPA1CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL1366937 0.70 CYP1A2 (0.54) CYP1A2CYP2D6
SCHEMBL5290002 0.70 TRPA1 (0.46) TRPA1TRPV1
SCHEMBL9157045 0.69

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-20090171453-A1 Drug Coated Stent Having a Surface Treatment and Method of Manufacturing COOK INCORPORATED 2009-07-02 US disclosed
US-6599558-B1 Covalently bonding vinylalkoxysilane and graft polymerizing with further monomers forming hydrophilic layer; inhibiting restenosis and thrombosis POLYBIOMED LIMITED (GB) 2003-07-29 US disclosed
EP-0988071-B1 TREATING METAL SURFACES TO ENHANCE BIO-COMPATIBILITY AND/OR PHYSICAL CHARACTERISTICS POLYBIOMED LTD (GB) 2003-02-26 EP disclosed
EP-0988071-A2 TREATING METAL SURFACES TO ENHANCE BIO-COMPATIBILITY AND/OR PHYSICAL CHARACTERISTICS PolyBioMed Limited (GB) 2000-03-29 EP disclosed
WO-1998055162-A2 TREATING METAL SURFACES TO ENHANCE BIO-COMPATIBILITY POLYBIOMED LIMITED (GB) 1998-12-10 WO disclosed
US-5356433-A Using an amino containing organosilane compound CORDIS CORPORATION (US) 1994-10-18 US disclosed