SCHEMBL7015646

SCHEMBL7015646

[CH2]CN1CCC(OCCC)CC1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.38
HRH3 Q9Y5N1 2/20 0.30
TMEM97 Q5BJF2 1/20 0.30
CARM1 Q86X55 1/20 0.30
PRMT6 Q96LA8 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
PRMT8 Q9NR22 1/20 0.30
TAAR1 Q96RJ0 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
SCHEMBL17285631 0.83 HRH3 (0.41) NPC1HRH3TMEM97CARM1PRMT6
SCHEMBL24607305 0.82 NPC1 (0.48) NPC1HRH3TMEM97CARM1PRMT6
SCHEMBL22794637 0.78 GNAO1 (0.46) NPC1HRH3
SCHEMBL25654229 0.77 NPC1 (0.36) NPC1TAAR1
SCHEMBL22856482 0.77 HRH3 (0.43) NPC1HRH3CARM1PRMT6
SCHEMBL12049582 0.77 NPC1 (0.42) NPC1HRH3TAAR1
SCHEMBL8860927 0.76 NPC1 (0.31) NPC1HRH3TMEM97CARM1PRMT6
SCHEMBL22703730 0.76 TAAR1 (0.36) NPC1TMEM97SIGMAR1TAAR1
SCHEMBL8860627 0.75
SCHEMBL13179149 0.75 NPC1 (0.36) NPC1TAAR1

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-1278741-A1 MUSCARINIC AGONISTS Acadia Pharmaceuticals Inc. (US) 2003-01-29 EP disclosed
WO-2001083472-A1 MUSCARINIC AGONISTS ACADIA PHARMACEUTICALS, INC. (US) 2001-11-08 WO disclosed