SCHEMBL7915041

SCHEMBL7915041

CO[Si](CCc1cccc(OC#N)c1)(OC)OC

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.45
CHRM2 P08172 3/20 0.43
CHRM1 P11229 3/20 0.43
CHRM3 P20309 3/20 0.43
RAB9A P51151 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
AOC3 Q16853 1/20 0.41
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
HRH3 Q9Y5N1 1/20 0.39
IDO1 P14902 1/20 0.38
AGXT P21549 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38

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
SCHEMBL7913932 0.91 CHRM2 (0.44) TAAR1CHRM2CHRM1CHRM3RAB9A
SCHEMBL7920249 0.85 ACHE (0.36) TAAR1CHRM2CHRM1CHRM3RAB9A
SCHEMBL13027479 0.84 TAAR1 (0.62) TAAR1CHRM2CHRM1CHRM3SIGMAR1
SCHEMBL7906836 0.81 MEN1 (0.38) TAAR1CHRM2CHRM1CHRM3RAB9A
SCHEMBL7916812 0.81 TAAR1 (0.39) TAAR1SIGMAR1AOC3IDO1
SCHEMBL574710 0.80 TAAR1 (0.46) TAAR1CHRM2CHRM1CHRM3SIGMAR1
SCHEMBL7913967 0.77 MTNR1A (0.38) TAAR1CHRM2CHRM1CHRM3MTNR1A
SCHEMBL7916772 0.76 CHRM2 (0.37) TAAR1CHRM2CHRM1CHRM3RAB9A
SCHEMBL158382 0.75 CHRM2 (0.38) TAAR1CHRM2CHRM1CHRM3MTNR1A
SCHEMBL13027403 0.74 TAAR1 (0.53) TAAR1HRH3IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6217943-B1 ADHESION AND REINFORCEMENT WITH SILANE CYANATE COUPLERS 3M INNOVATIVE PROPERTIES COMPANY 2001-04-17 US disclosed
US-5912377-A CONTAINING AT LEAST ONE CYANATE ESTER GROUP AND HYDROLYZABLE SILYL GROUP; REINFORCED COMPOSITES, ADESIVES, COATINGS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-06-15 US disclosed
EP-0830410-B1 AROMATIC CYANATE ESTER SILANE COUPLING AGENTS MINNESOTA MINING & MFG (US) 1999-04-07 EP disclosed
EP-0830410-A1 AROMATIC CYANATE ESTER SILANE COUPLING AGENTS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-03-25 EP disclosed
WO-1996039457-A1 AROMATIC CYANATE ESTER SILANE COUPLING AGENTS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-12-12 WO disclosed