SCHEMBL7532069

SCHEMBL7532069

CCCCCCCCCCCC(C)OCCC

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.42
FAAH O00519 5/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
SPHK1 Q9NYA1 1/20 0.40
LMNA P02545 1/20 0.39
DNM1 Q05193 3/20 0.39
TSHR P16473 1/20 0.38
THRB P10828 1/20 0.38
ADH1B P00325 1/20 0.38
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38
ADH4 P08319 1/20 0.38
ADH7 P40394 1/20 0.38
ALDH1A1 P00352 1/20 0.37
SMPD1 P17405 1/20 0.36

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
SCHEMBL28950911 1.00 OPRM1 (0.42) OPRM1FAAHCNR1CNR2SPHK1
SCHEMBL7778240 1.00 OPRM1 (0.42) OPRM1FAAHCNR1CNR2SPHK1
SCHEMBL13500020 1.00 OPRM1 (0.42) OPRM1FAAHCNR1CNR2SPHK1
SCHEMBL17253408 1.00 OPRM1 (0.42) OPRM1FAAHCNR1CNR2SPHK1
SCHEMBL7777210 1.00 OPRM1 (0.42) OPRM1FAAHCNR1CNR2SPHK1
SCHEMBL11234095 0.98 OPRM1 (0.44) OPRM1FAAHCNR1CNR2SPHK1
SCHEMBL96052 0.92 TDP1 (0.41) OPRM1FAAHCNR1CNR2SPHK1
SCHEMBL4022359 0.91 DNM1 (0.48) OPRM1FAAHCNR1CNR2SPHK1
SCHEMBL19219115 0.91 DNM1 (0.48) OPRM1FAAHCNR1CNR2SPHK1
SCHEMBL3039218 0.91 DNM1 (0.48) OPRM1FAAHCNR1CNR2SPHK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1185513-A2 ARYL SUBSTITUTED ALKYLAMINES CAPABLE OF ACTIVATING NICOTINIC CHOLINERGIC RECEPTORS Targacept, Inc. (US) 2002-03-13 EP disclosed
WO-2000071520-A2 ARYL SUBSTITUTED ALKYLAMINES CAPABLE OF ACTIVATING NICOTINIC CHOLINERGIC RECEPTORS TARGACEPT, INC. (US) 2000-11-30 WO disclosed