SCHEMBL16152249

SCHEMBL16152249

CNCCCNCCCNCc1cc(CNCCCNCCCN)cc(CNCCCNCCCN)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 2/20 0.47
▸ MC5R P33032 2/20 0.47
▸ MC3R P41968 1/20 0.47
▸ CA12 O43570 3/20 0.43
▸ CA2 P00918 3/20 0.43
▸ CA4 P22748 3/20 0.43
▸ CA6 P23280 3/20 0.43
▸ CA5A P35218 3/20 0.43
▸ CA7 P43166 3/20 0.43
▸ CA9 Q16790 3/20 0.43
▸ CA14 Q9ULX7 3/20 0.43
▸ CA5B Q9Y2D0 3/20 0.43
▸ CASP2 P42575 2/20 0.43
▸ F13A1 P00488 2/20 0.43
▸ CYP1A2 P05177 2/20 0.43
▸ ALOX15 P16050 2/20 0.43
▸ THPO P40225 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ RECQL P46063 1/20 0.43

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
SCHEMBL16151766 0.90 MC4R (0.55) MC4RMC5RMC3RCA12CA2
SCHEMBL16435203 0.90 MC4R (0.55) MC4RMC5RMC3RCA12CA2
Hydrochloric Acid SCHEMBL29778304 0.88 UBE2N (0.54) MC4RMC5RMC3RCA12CA2
SCHEMBL18137047 0.86 CHRM2 (0.50) CXCR4SMN1; SMN2CHRM2
SCHEMBL16151783 0.86 MC4R (0.58) MC4RMC5RMC3RCA12CA2
SCHEMBL16151765 0.85 MC4R (0.47) MC4RMC5RMC3RCA12CA2
SCHEMBL16152240 0.85 MC4R (0.50) MC4RMC5RMC3RCA12CA2
Hydrochloric Acid SCHEMBL29778318 0.84 MC4R (0.56) MC4RMC5RMC3RCA12CA2
SCHEMBL2761649 0.82 CA12 (0.56) MC4RMC5RMC3RCA12CA2
SCHEMBL1272622 0.82 CA12 (0.63) CA12CA2CA4CA6CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9220267-B2 Methods of use comprising a biocidal polyamine CURZA GLOBAL, LLC (US) 2015-12-29 — — US disclosed
US-8853278-B1 Compositions comprising a biocidal polyamine CURZA GLOBAL, LLC (US) 2014-10-07 — — US disclosed
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