SCHEMBL10748748

SCHEMBL10748748

C(=CCN1CCCCCC1)CN1CCCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.43
LTA4H P09960 1/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.38
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
PRMT8 Q9NR22 1/20 0.38
CHRM5 P08912 1/20 0.38
ADRA2C P18825 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
MAPT P10636 2/20 0.36
GAA P10253 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL23872301 1.00 HRH3 (0.43) HRH3LTA4HCHRNB2CHRNB4CHRNA3
SCHEMBL7227482 1.00 HRH3 (0.43) HRH3LTA4HCHRNB2CHRNB4CHRNA3
SCHEMBL23872300 0.97 LTA4H (0.42) HRH3LTA4HCHRNB2CHRNB4CHRNA3
SCHEMBL15901908 0.87 LTA4H (0.35) HRH3LTA4HCHRNB2CHRNB4CHRNA3
SCHEMBL9330121 0.87 CHRNB2 (0.38) HRH3LTA4HCHRNB2CHRNB4CHRNA3
SCHEMBL28552521 0.87 TDP1 (0.40) HRH3LTA4HCHRNB2CHRNB4CHRNA3
SCHEMBL18281174 0.87 ALDH1A1 (0.40) HRH3LTA4HCHRNB2CHRNB4CHRNA3
SCHEMBL6800629 0.87 TDP1 (0.40) HRH3LTA4HCHRNB2CHRNB4CHRNA3
SCHEMBL15901535 0.87 LTA4H (0.35) HRH3LTA4HCHRNB2CHRNB4CHRNA3
SCHEMBL15901454 0.87 LTA4H (0.35) HRH3LTA4HCHRNB2CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4035480-A 1,4-DIHALO-2-BUTENE, TERTIARY AMINE MILLMASTER ONYX CORPORATION (US) 1977-07-12 US claimed
US-4027020-A ANTIMICROBIALS FROM 1,4-DIHALO-2-BUTENE AND A MONO- AND A DI-FUNCTIONAL TERTIARY AMINE MILLMASTER ONYX CORPORATION (US) 1977-05-31 US claimed
US-4025617-A Anti-microbial quaternary ammonium co-polymers MILLMASTER ONYX CORPORATION (US) 1977-05-24 US claimed
US-4654208-A Anti-microbial compositions comprising an aqueous solution of a germicidal polymeric nitrogen compound and a potentiating oxidizing agent STOCKEL RICHARD F 1987-03-31 US disclosed
US-4499077-A AQUEOUS STABILIZED CHLORINE DIOXIDE AND A CATIONIC POLYMER OR A POLYGUANIDE; SOFT CANTACT LENSES;NONIRRITATING STOCKEL RICHARD F 1985-02-12 US disclosed
US-4091113-A QUATERNARY AMMONIUM POLYMERS; HAIR CONDITIONERS KEWANEE INDUSTRIES, INC. (US) 1978-05-23 US disclosed
US-4035480-A 1,4-DIHALO-2-BUTENE, TERTIARY AMINE MILLMASTER ONYX CORPORATION (US) 1977-07-12 US disclosed
US-4027020-A ANTIMICROBIALS FROM 1,4-DIHALO-2-BUTENE AND A MONO- AND A DI-FUNCTIONAL TERTIARY AMINE MILLMASTER ONYX CORPORATION (US) 1977-05-31 US disclosed
US-4026945-A REACTION PRODUCT OF DIFUNCTIONAL TERTIARY AMINES AND 1,4-DIHALO-2-BUTENE MILLMASTER ONYX CORPORATION (US) 1977-05-31 US disclosed
US-4025617-A Anti-microbial quaternary ammonium co-polymers MILLMASTER ONYX CORPORATION (US) 1977-05-24 US disclosed
US-4025653-A Microbiocidal polymeric quaternary ammonium compounds MILLMASTER ONYX CORPORATION (US) 1977-05-24 US disclosed
US-4025627-A Microbiocidal polymeric quaternary ammonium compounds MILLMASTER ONYX CORPORATION (US) 1977-05-24 US disclosed
US-3966904-A Quaternary ammonium co-polymers for controlling the proliferation of bacteria MILLMASTER ONYX CORPORATION (US) 1976-06-29 US disclosed
US-3961042-A BACTERICIDES MILLMASTER ONYX CORPORATION (US) 1976-06-01 US disclosed
US-3933812-A ANTIMICROBIAL QUATERNARY AMMONIUM COPOLYMERS MILLMASTER ONYX CORPORATION (US) 1976-01-20 US disclosed