SCHEMBL7428008

SCHEMBL7428008

CC(=O)NCCC(N)Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.58
MTNR1B P49286 2/20 0.58
ANPEP P15144 2/20 0.57
RNPEP Q9H4A4 2/20 0.57
DNPEP Q9ULA0 2/20 0.57
MMP2 P08253 4/20 0.53
LAP3 P28838 3/20 0.52
ALPI P09923 1/20 0.51
PKM P14618 1/20 0.51
PTGS1 P23219 1/20 0.51
XIAP P98170 1/20 0.51
SLC7A5 Q01650 1/20 0.51
EPHX1 P07099 1/20 0.50
CTRB1 P17538 1/20 0.46

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
SCHEMBL6692780 1.00 MTNR1A (0.58) MTNR1AMTNR1BANPEPRNPEPDNPEP
SCHEMBL3508825 0.87 MMP2 (0.55) ANPEPRNPEPDNPEPMMP2LAP3
SCHEMBL5568037 0.83 MMP2 (0.69) MTNR1AMTNR1BMMP2ALPIPKM
SCHEMBL3055735 0.81 MTNR1A (0.55) MTNR1AMTNR1BANPEPRNPEPDNPEP
SCHEMBL3039933 0.81 MTNR1A (0.55) MTNR1AMTNR1BANPEPRNPEPDNPEP
SCHEMBL12452003 0.80 IDO1 (0.52) ANPEPRNPEPDNPEPMMP2LAP3
SCHEMBL3039937 0.79 MTNR1A (0.57) MTNR1AMTNR1BANPEPRNPEPDNPEP
SCHEMBL3055737 0.79 MTNR1A (0.57) MTNR1AMTNR1BANPEPRNPEPDNPEP
SCHEMBL7277645 0.78 MTNR1A (0.55) MTNR1AMTNR1BANPEPRNPEPDNPEP
SCHEMBL15638183 0.78 ALPI (0.56) ANPEPRNPEPDNPEPMMP2ALPI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4709032-A VASODILATION AND HYPOTENSIVE AGENT ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1987-11-24 US disclosed
US-4634770-A VASODILATORS, HYPOTENSIVES ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1987-01-06 US disclosed
EP-0109023-A1 Isoquinolinesulfonamide derivatives and process for the preparation thereof Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1984-05-23 EP disclosed