SCHEMBL5400524

SCHEMBL5400524

CC=CCN(CC=CC)CCCC

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 8/20 0.41
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA9 Q16790 2/20 0.33
KDM5A P29375 4/20 0.32
MAPT P10636 1/20 0.32
KDM4C Q9H3R0 2/20 0.31
PHF8 Q9UPP1 2/20 0.31
EPHX2 P34913 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
SCHEMBL3816331 0.95 KCNH2 (0.41) KCNH2CA12CA1CA9KDM5A
SCHEMBL5699209 0.95 KCNH2 (0.41) KCNH2CA12CA1CA9KDM5A
Hydrochloric Acid SCHEMBL22771790 0.93 KCNH2 (0.40) KCNH2CA12CA1CA9KDM5A
Hydrochloric Acid SCHEMBL22575276 0.93 KCNH2 (0.40) KCNH2CA12CA1CA9KDM5A
SCHEMBL22157378 0.91 KCNH2 (0.41) KCNH2CA12CA1CA9KDM5A
SCHEMBL6660072 0.91 KCNH2 (0.50) KCNH2CA12CA1CA9KDM5A
SCHEMBL22157476 0.91 KCNH2 (0.39) KCNH2CA12CA1CA9KDM5A
SCHEMBL22157432 0.89 KCNH2 (0.44) KCNH2KDM5AKDM4CPHF8EPHX2
SCHEMBL22157496 0.88 KCNH2 (0.42) KCNH2KDM5AKDM4CPHF8EPHX2
Hydrochloric Acid SCHEMBL22771616 0.86 KCNH2 (0.41) KCNH2KDM5AKDM4CPHF8EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7161039-B2 Method and device for producing ethylamine and butylamine BASF AKTIENGESELLSCHAFT (DE) 2007-01-09 US disclosed
EP-1238964-B1 Process for preparing n-butylamines BASF AG (DE) 2006-10-18 EP disclosed
US-20050124832-A1 Method and device for producing ethylamine and butylamine BASF AKTIENGESELLSCHAFT (DE) 2005-06-09 US disclosed
EP-1502911-A1 Process for the preparation of n-butenylamines BASF AKTIENGESELLSCHAFT (DE) 2005-02-02 EP disclosed
EP-1502912-A1 Process for preparing n-butylamines BASF AKTIENGESELLSCHAFT (DE) 2005-02-02 EP disclosed
EP-1498408-A1 Process for preparing n-butenylamines BASF AKTIENGESELLSCHAFT (DE) 2005-01-19 EP disclosed
EP-1448510-A1 METHOD AND DEVICE FOR PRODUCING ETHYLAMINE AND BUTYLAMINE BASF AKTIENGESELLSCHAFT (DE) 2004-08-25 EP disclosed
WO-2003042157-A1 METHOD AND DEVICE FOR PRODUCING ETHYLAMINE AND BUTYLAMINE BASF AKTIENGESELLSCHAFT (DE) 2003-05-22 WO disclosed
EP-1238964-A1 Process for preparing n-butylamines and n-butenylamines BASF AKTIENGESELLSCHAFT (DE) 2002-09-11 EP disclosed