SCHEMBL6087964

SCHEMBL6087964

C=CC(=C=O)N1CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
CHKA P35790 1/20 0.38
CHRNB2 P17787 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
CHRNB3 Q05901 1/20 0.36
CHRNA6 Q15825 1/20 0.36
SIGMAR1 Q99720 1/20 0.32
HSD11B1 P28845 1/20 0.32

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
SCHEMBL20125381 0.78 ALDH1A1 (0.37) CA2CA12CA1CA9CHKA
SCHEMBL277853 0.71 CA2 (0.48) CA2CA12CA1CA9CHKA
Hydrochloric Acid SCHEMBL17397450 0.70 CA2 (0.46) CA2CA12CA1CA9CHKA
SCHEMBL21912690 0.69 CA2 (0.39) CA2CA12CA1CA9CHKA
SCHEMBL3677031 0.67 CA2 (0.43) CA2CA12CA1CA9CHKA
SCHEMBL6899581 0.67 CA2 (0.38) CA2CA12CA1CA9CHKA
Formamide SCHEMBL28191106 0.65 CA2 (0.42) CA2CA12CA1CA9CHKA
SCHEMBL3355882 0.65 CA2 (0.50) CA2CA12CA1CA9CHKA
SCHEMBL27400532 0.65 CA2 (0.37) CA2CA12CA1CA9CHKA
SCHEMBL6081598 0.65 CA2 (0.56) CA2CA12CA1CA9CHKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6180238-B1 PARTICULARLY SUITABLE FOR USE IN INK JET PRINTING PROCESSES. XEROX CORPORATION 2001-01-30 US claimed
US-5657064-A Recording sheets containing pyrrole, pyrrolidine, pyridine, piperidine, homopiperidine, quinoline, isoquinoline, quinuclidine, indole, and indazole compounds XEROX CORPORATION (US) 1997-08-12 US claimed
US-7105214-B2 Recording sheets containing pyrrole, pyrrolidine, pyridine, piperidine, homopiperidine, quinoline, isoquinoline, quinuclidine, indole, and indazole compounds XEROX CORPORATION (US) 2006-09-12 US disclosed
US-20030124320-A1 Recording sheets containing pyrrole, pyrrolidine, pyridine, piperidine, homopiperidine, quinoline, isoquinoline, quinuclidine, indole, and indazole compounds XEROX CORPORATION 2003-07-03 US disclosed
US-6482503-B1 Recording sheets containing pyrrole, pyrrolidine, pyridine, piperidine, homopiperidine, quinoline, isoquinoline, quinuclidine, indole, and indazole compounds XEROX CORPORATION 2002-11-19 US disclosed
US-6180238-B1 PARTICULARLY SUITABLE FOR USE IN INK JET PRINTING PROCESSES. XEROX CORPORATION 2001-01-30 US disclosed
EP-0673782-B1 Recording sheets containing pyrrole, pyrrolidine, pyridine, piperidine, homopiperidine, quinoline, isoquinoline, quinuclidine, indole, and indazole compounds XEROX CORP (US) 2000-06-14 EP disclosed
EP-0673784-B1 Recording sheets containing oxazole, isooxazole, oxazolidinone, oxazoline salts, morpholine, thiazole, thiazolidine, thiadiazole, and phenothiazine compounds XEROX CORP (US) 1999-10-27 EP disclosed
US-5729266-A Recording sheets containing oxazole, isooxazole, oxazolidinone, oxazoline salt, morpholine, thiazole, thiazolidine, thiadiazole and phenothiazine compounds XEROX CORPORATION (US) 1998-03-17 US disclosed
US-5657064-A Recording sheets containing pyrrole, pyrrolidine, pyridine, piperidine, homopiperidine, quinoline, isoquinoline, quinuclidine, indole, and indazole compounds XEROX CORPORATION (US) 1997-08-12 US disclosed
EP-0673782-A2 Recording sheets containing pyrrole, pyrrolidine, pyridine, piperidine, homopiperidine, quinoline, isoquinoline, quinuclidine, indole, and indazole compounds XEROX CORPORATION (US) 1995-09-27 EP disclosed
EP-0673784-A2 Recording sheets containing oxazole, isooxazole, oxazolidinone, oxazoline salts, morpholine, thiazole, thiazolidine, thiadiazole, and phenothiazine compounds XEROX CORPORATION (US) 1995-09-27 EP disclosed