SCHEMBL4461184

SCHEMBL4461184

CC1(C)C2CCC(C2)C1(N=C=O)N=C=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.39
CHRNB4 P30926 4/20 0.39
CHRNA3 P32297 4/20 0.39
CHRNA7 P36544 4/20 0.39
CHRNA4 P43681 4/20 0.39
CHRNA1 P02708 3/20 0.39
CHRNG P07510 3/20 0.39
CHRNB1 P11230 3/20 0.39
CHRND Q07001 3/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
PKM P14618 1/20 0.39
NFKB1 P19838 1/20 0.39
CYP2C19 P33261 1/20 0.39
THPO P40225 1/20 0.39
CHRNE Q04844 1/20 0.39
CHRNA2 Q15822 1/20 0.39
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL1701140 0.68
SCHEMBL4174626 0.68 CHRNB2 (0.60) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL9055623 0.66 ALDH1A1 (0.32)
SCHEMBL10928575 0.64
Mecamylamine SCHEMBL28269500 0.62 CHRNB2 (0.79) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL10943659 0.61 ALDH1A1 (0.30)
SCHEMBL901835 0.60
SCHEMBL7775846 0.60
SCHEMBL2692824 0.59
SCHEMBL28256196 0.59 PLA2G1B (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7622526-B2 Thermoset material based on antiplasticizing polythiourethane and ophthalmic lens comprising an antiplasticized thermoset material ESSILOR INTERNATIONAL (FR) 2009-11-24 US claimed
EP-1670852-B1 THERMOSETTING MATERIAL BASED ON ANTIPLASTICIZED POLYTHIOURETHANE, AND OPHTHALMIC LENS COMPRISING AN ANTIPLASTICIZED THERMOSETTING MATERIAL ESSILOR INT (FR) 2008-12-10 EP claimed
US-7622526-B2 Thermoset material based on antiplasticizing polythiourethane and ophthalmic lens comprising an antiplasticized thermoset material ESSILOR INTERNATIONAL (FR) 2009-11-24 US disclosed
US-20060270771-A1 Thermoset material based on antiplasticizing polythiourethane and ophthalmic lens comprising an antiplasticized thermoset material ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2006-11-30 US disclosed