SCHEMBL8977957

SCHEMBL8977957

CC(N)N(CCNCCNCCN)N1CCNCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ACE2 Q9BYF1 1/20 0.36
LMNA P02545 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA3 P07451 1/20 0.32
ALOX15 P16050 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL8977990 0.98 CYP2C9 (0.38) CYP2C9CYP2C19ACE2CA12CA6
Trientine SCHEMBL9064125 0.76 CYP2C9 (0.39) CYP2C9CYP2C19ACE2LMNATDP1
SCHEMBL15658337 0.76 CYP2C9 (0.39) CYP2C9CYP2C19ACE2LMNATDP1
SCHEMBL18152543 0.75 ACE2 (0.40) CYP2C9CYP2C19ACE2LMNATDP1
SCHEMBL2478832 0.75 CYP2C9 (0.31) CYP2C9CYP2C19ACE2
SCHEMBL14158737 0.74 ACE2 (0.45) CYP2C9CYP2C19ACE2ALDH1A1
SCHEMBL16912671 0.74 CYP2C9 (0.40) CYP2C9CYP2C19ACE2LMNATDP1
SCHEMBL28200071 0.73 ACE2 (0.39) CYP2C9CYP2C19ACE2LMNATDP1
SCHEMBL28945088 0.72 CHRM5 (0.30)
SCHEMBL2480876 0.69 CA12 (0.37) ACE2LMNATDP1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0626984-B1 POLYAMIDOAMINES IN THE CIRCULATING WATERS OF WET SEPARATORS HENKEL KGAA (DE) 1996-04-10 EP claimed
CN-109715853-B Use of adhesion promoters obtainable as reaction products of diamines or polyamines with alpha, beta-unsaturated carboxylic acid derivatives for the treatment of metal surfaces 汉高股份有限及两合公司 2021-08-24 CN disclosed
EP-3504357-A1 USE OF AN ADHESION PROMOTER OBTAINABLE AS THE REACTION PRODUCT OF A DI- OR POLYAMINE WITH , -UNSATURATED CARBOXYLIC ACID DERIVATIVES FOR METAL SURFACE TREATMENT Henkel AG & Co. KGaA (DE) 2019-07-03 EP disclosed
EP-0626984-B1 POLYAMIDOAMINES IN THE CIRCULATING WATERS OF WET SEPARATORS HENKEL KGAA (DE) 1996-04-10 EP disclosed
EP-0092883-B1 METHOD OF DEMULSIFYING EMULSIONS OF OIL AND WATER WITH HETEROCYCLIC AMMONIUM POLYAMIDOAMINES THE DOW CHEMICAL COMPANY (US) 1987-11-25 EP disclosed
EP-0086066-B1 USE OF A QUATERNIZED POLYAMIDOAMINES AS DEMULSIFIERS THE DOW CHEMICAL COMPANY (US) 1986-11-05 EP disclosed
US-4457860-A ENHANCED OIL RECOVERY THE DOW CHEMICAL COMPANY (US) 1984-07-03 US disclosed
EP-0109785-A2 Use of quaternized polyalkylene polyamines as demulsifiers THE DOW CHEMICAL COMPANY (US) 1984-05-30 EP disclosed
US-4448708-A Use of quaternized polyamidoamines as demulsifiers THE DOW CHEMICAL COMPANY (US) 1984-05-15 US disclosed
EP-0092883-A1 Method of demulsifying emulsions of oil and water with heterocyclic ammonium polyamidoamines THE DOW CHEMICAL COMPANY (US) 1983-11-02 EP disclosed
US-4402748-A Ink formulations containing a curable ammonium polyamidoamine as a fixing agent THE DOW CHEMICAL COMPANY (US) 1983-09-06 US disclosed
EP-0086066-A1 Use of a quaternized polyamidoamines as demulsifiers THE DOW CHEMICAL COMPANY (US) 1983-08-17 EP disclosed
US-4387028-A Use of quaternized polyalkylene polyamines as demulsifiers THE DOW CHEMICAL COMPANY (US) 1983-06-07 US disclosed