SCHEMBL5878618

SCHEMBL5878618

CC(=CCC(C)N)c1cnc(N)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
MAP4K4 O95819 1/20 0.32
CPB1 P15086 2/20 0.32
CPB2 Q96IY4 2/20 0.32
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GLA P06280 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL7067559 0.80 HDAC1 (0.34)
SCHEMBL7529716 0.73 KDM4E (0.40) KDM4EALDH1A1POLBGAASMN1; SMN2
SCHEMBL6453865 0.72 KDM4E (0.44) KDM4ENPC1ALDH1A1POLBGAA
SCHEMBL7071014 0.71 TAAR1 (0.34)
SCHEMBL4422415 0.71 HCAR2 (0.32) ALDH1A1GLA
SCHEMBL27659399 0.70 NOS3 (0.54) NOS3NOS1NOS2MAP4K4CPB1
SCHEMBL8004815 0.68 F2 (0.40) NOS1KDM4ENPC1ALDH1A1POLB
SCHEMBL9723648 0.67 HTR2A (0.47)
SCHEMBL5199056 0.67 TBXAS1 (0.51) KDM4EALDH1A1GAASMN1; SMN2
SCHEMBL7519872 0.66 TP53 (0.37) KDM4ENPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2006511482-A 2006-04-06 JP claimed
EP-1556352-A1 COMPOUNDS CAPABLE OF ACTIVATING CHOLINERGIC RECEPTORS Targacept, Inc. (US) 2005-07-27 EP claimed
WO-2004031151-A1 COMPOUNDS CAPABLE OF ACTIVATING CHOLINERGIC RECEPTORS TARGACEPT, INC. (US) 2004-04-15 WO claimed
EP-1086082-B9 ARYLSUBSTITUTED OLEFINIC AMINES AND THEIR USE AS CHOLINERGIC RECEPTORS AGONISTS TARGACEPT INC (US) 2005-03-02 EP disclosed
EP-1086082-B1 ARYLSUBSTITUTED OLEFINIC AMINES AND THEIR USE AS CHOLINERGIC RECEPTORS AGONISTS TARGACEPT INC (US) 2004-08-18 EP disclosed
EP-1086082-A1 ARYLSUBSTITUTED OLEFINIC AMINES AND THEIR USE AS CHOLINERGIC RECEPTORS AGONISTS R.J. REYNOLDS TOBACCO COMPANY (US) 2001-03-28 EP disclosed
WO-1999065876-A1 ARYL SUBSTITUTED OLEFINIC AMINES AND THEIR USE AS CHOLINERGIC RECEPTORS AGONISTS R.J. REYNOLDS TOBACCO COMPANY (US) 1999-12-23 WO disclosed