SCHEMBL7874968

SCHEMBL7874968

CC(=N)Nc1ccc2c(c1)C(N)CC2

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.44
ACHE P22303 10/20 0.43
F2 P00734 2/20 0.36
PLG P00747 2/20 0.36
PLAU P00749 2/20 0.36
PLAT P00750 2/20 0.36
KLKB1 P03952 2/20 0.36
PRSS1 P07477 2/20 0.36

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
SCHEMBL2463176 0.85 MTNR1A (0.60) MTNR1AACHE
SCHEMBL7865789 0.84 ACHE (0.46) MTNR1AACHE
SCHEMBL7865790 0.82 MTNR1A (0.42) MTNR1AACHE
SCHEMBL8306857 0.77 NPC1 (0.44) MTNR1AACHE
SCHEMBL8308422 0.77 ACHE (0.36) MTNR1AACHEF2PLGPLAU
SCHEMBL11746560 0.77 MTNR1A (0.54) MTNR1AACHE
Hydrochloric Acid SCHEMBL8186897 0.76 NPC1 (0.43) ACHE
SCHEMBL25413828 0.75 ACHE (0.43) MTNR1AACHE
SCHEMBL7865753 0.75 ACHE (0.46) MTNR1AACHE
Hydrochloric Acid SCHEMBL11748537 0.75 MTNR1A (0.53) MTNR1AACHE

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