SCHEMBL8082380

SCHEMBL8082380

CC(=N)NCCCC[C@H](N)C(O)c1ccccc1O

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC7 Q8WUI4 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
ALOX5 P09917 4/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
NAAA Q02083 1/20 0.33
POLB P06746 1/20 0.32
CSNK1E P49674 1/20 0.30
METAP2 P50579 1/20 0.30
METAP1 P53582 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
SCHEMBL8077823 0.85 TSHR (0.37) HDAC7ALOX15TSHRALOX5GABRA1
Hydrochloric Acid SCHEMBL8080750 0.80 ALDH1A1 (0.41) NAAA
SCHEMBL8080759 0.80 CA12 (0.37) TSHRALOX5NAAACSNK1E
SCHEMBL8077917 0.72 TRPV1 (0.31)
SCHEMBL8082627 0.72 NOS2 (0.34)
SCHEMBL8077802 0.72 MTNR1A (0.41) NAAA
Water SCHEMBL8068168 0.71 TRPV1 (0.31)
SCHEMBL8077399 0.71 SLC6A2 (0.36)
SCHEMBL8077659 0.71 METAP2 (0.39) CSNK1EMETAP2
Water SCHEMBL8082590 0.70 NOS2 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0749418-A1 L-N6 -(1-IMINOETHYL)LYSINE DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1996-12-27 EP claimed
WO-1995024382-A1 L-N6-(1-IMINOETHYL)LYSINE DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1995-09-14 WO claimed
US-6143790-A ENZYME INHIBITORS G.D. SEARLE & CO. (US) 2000-11-07 US disclosed
EP-0749418-B1 L-N6 -(1-IMINOETHYL)LYSINE DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2000-08-30 EP disclosed
WO-1995024382-A1 L-N6-(1-IMINOETHYL)LYSINE DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS G.D. SEARLE & CO. (US) 1995-09-14 WO disclosed