SCHEMBL11490476

SCHEMBL11490476

CC(=O)N1CCNCC1N1CCNCC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.34
CHRNA3 P32297 3/20 0.34
CHRNA4 P43681 3/20 0.34
CHRNB4 P30926 2/20 0.34
CHRNB3 Q05901 1/20 0.34
CHRNA6 Q15825 1/20 0.34
HTR6 P50406 1/20 0.33
CHRM5 P08912 2/20 0.33
CHRM3 P20309 2/20 0.33
CA2 P00918 2/20 0.32
CHRNA7 P36544 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32
CHKA P35790 1/20 0.31
POLB P06746 1/20 0.31
SIGMAR1 Q99720 1/20 0.30
CYP1A2 P05177 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 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
SCHEMBL8185974 0.93 HTR6 (0.43) CHRNB2CHRNA3CHRNA4CHRNB4HTR6
Hydrochloric Acid SCHEMBL8186266 0.91 HTR6 (0.42) CHRNB2CHRNA3CHRNA4CHRNB4HTR6
SCHEMBL3153126 0.81 CHRM5 (0.36) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL3153297 0.80 CHRM5 (0.39) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL3521419 0.76 CHRNB2 (0.36) CHRNB2CHRNA3CHRNA4CHRNB4CHRNB3
SCHEMBL745860 0.76 DPP4 (0.40) CHRNB2CHRNA3CHRNA4CHRNB4CHRNB3
SCHEMBL2321580 0.76 DPP4 (0.40) CHRNB2CHRNA3CHRNA4CHRNB4CHRNB3
SCHEMBL747476 0.76 DPP4 (0.40) CHRNB2CHRNA3CHRNA4CHRNB4CHRNB3
SCHEMBL23182198 0.76 CA1 (0.38) CHRNB2CHRNA3CHRNA4CHRNB4CHRNB3
Piperazine SCHEMBL28147717 0.76 CHRNB2 (0.33) CHRNB2CHRNA3CHRNA4CHRNB4CHRNB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4182382-A Thermoplastic resin-coated metallic substrate and the method of producing the same through use of a polyamide adhesive layer COLORGUARD CORPORATION (US) 1980-01-08 US disclosed