SCHEMBL7913722

SCHEMBL7913722

O=C(O)c1cc(OC[C@@H]2CCN2)cnc1Cl

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.57
CHRNB4 P30926 1/20 0.57
CHRNA3 P32297 1/20 0.57
CHRNA7 P36544 1/20 0.57
CHRNA4 P43681 1/20 0.57

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
SCHEMBL7913728 1.00 CHRNB2 (0.57) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL7827548 0.88 CHRNB2 (0.52) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL7825120 0.88 CHRNB2 (0.52) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL6584275 0.86 CHRNB2 (0.51) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Hydrochloric Acid SCHEMBL6587992 0.85 CHRNB2 (0.50) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL7675569 0.81 CHRNB2 (0.45) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL905228 0.80 CHRNB2 (0.61) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL7412586 0.80 CHRNB2 (0.61) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL7676551 0.80 CHRNA3 (0.55) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL7817209 0.80 CHRNA3 (0.55) CHRNB2CHRNB4CHRNA3CHRNA4

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-6288055-B1 NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS; PYRIDINE DERIVATIVES LINKED BY LIGAND ADVANCED MEDICINE, INC. 2001-09-11 US disclosed
EP-1083917-A1 NOVEL ANALGESIC AGENTS Advanced Medicine, Inc. (US) 2001-03-21 EP disclosed
WO-1999064038-A9 NOVEL ANALGESIC AGENTS ADVANCED MEDICINE INC (US) 2000-05-04 WO disclosed
WO-1999064038-A1 NOVEL ANALGESIC AGENTS ADVANCED MEDICINE, INC. (US) 1999-12-16 WO disclosed