SCHEMBL8077917

SCHEMBL8077917

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

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.31
TRPA1 O75762 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
GNAI3 P08754 1/20 0.30
GNAO1 P09471 1/20 0.30
GNAI1 P63096 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
Water SCHEMBL8068168 0.98 TRPV1 (0.31) TRPV1TRPA1DPP7
Hydrochloric Acid SCHEMBL8051179 0.97
SCHEMBL8082627 0.89 NOS2 (0.34) TRPV1TRPA1DPP7GNAI3GNAO1
Water SCHEMBL8082590 0.88 NOS2 (0.33) TRPV1TRPA1DPP7GNAI3GNAO1
Hydrochloric Acid SCHEMBL8080728 0.86 NOS2 (0.33) TRPV1TRPA1DPP7GNAI3GNAO1
SCHEMBL8068197 0.83 NOS2 (0.41)
SCHEMBL8067728 0.81 FOLH1 (0.35) DPP7GNAI3GNAO1GNAI1
SCHEMBL6272634 0.79 NOS2 (0.50) TRPV1TRPA1DPP7GNAI3GNAO1
SCHEMBL6272635 0.79 NOS2 (0.50) TRPV1TRPA1DPP7GNAI3GNAO1
SCHEMBL23337630 0.78 DPP7 (0.31) DPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6143790-A ENZYME INHIBITORS G.D. SEARLE & CO. (US) 2000-11-07 US claimed
EP-0749418-B1 L-N6 -(1-IMINOETHYL)LYSINE DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2000-08-30 EP claimed
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
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