SCHEMBL7877545

SCHEMBL7877545

CCCCOC(=O)NCC#CCNC(C)=N

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.51
ALDH1A1 P00352 1/20 0.47
EPHX1 P07099 1/20 0.44
ATM Q13315 1/20 0.40

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
Hydrochloric Acid SCHEMBL7877530 0.98 ACHE (0.50) ACHEALDH1A1EPHX1ATM
SCHEMBL8769630 0.84 ACHE (0.56) ACHEALDH1A1EPHX1ATM
Bromide SCHEMBL7873155 0.81 ACHE (0.46) ACHEALDH1A1EPHX1
SCHEMBL8645448 0.81 ACHE (0.53) ACHEALDH1A1EPHX1
SCHEMBL8195570 0.81 ACHE (0.53) ACHEALDH1A1EPHX1ATM
SCHEMBL337339 0.81 ACHE (0.53) ACHEALDH1A1EPHX1ATM
SCHEMBL3627549 0.78 ACHE (0.58) ACHEALDH1A1EPHX1ATM
SCHEMBL3645511 0.77 EPHX2 (0.53) ACHE
SCHEMBL5217196 0.77 ACHE (0.56) ACHEALDH1A1EPHX1ATM
SCHEMBL30473390 0.77 ACHE (0.56) ACHEALDH1A1EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE37438-E1 Acetamidine derivatives and their use as inhibitors for the nitric oxide synthase GLAXO WELLCOME INC. 2001-11-06 US disclosed
US-5866612-A Acetamidine derivatives and their use as inhibitors for the nitric oxide synthase GLAXO WELLCOME INC. (US) 1999-02-02 US disclosed
EP-0799191-A1 ACETAMIDINE DERIVATIVES AND THEIR USE AS INHIBITORS FOR THE NITRIC OXIDE SYNTHASE THE WELLCOME FOUNDATION LIMITED (GB) 1997-10-08 EP disclosed
WO-1996019440-A1 ACETAMIDINE DERIVATIVES AND THEIR USE AS INHIBITORS FOR THE NITRIC OXIDE SYNTHASE THE WELLCOME FOUNDATION LIMITED (GB) 1996-06-27 WO disclosed