SCHEMBL5533747

SCHEMBL5533747

CN1CCC(NCc2ccc(C(=O)O)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.50
HDAC1 Q13547 1/20 0.50
CARM1 Q86X55 1/20 0.48
PRMT6 Q96LA8 1/20 0.48
KMT2A Q03164 5/20 0.47
HRH3 Q9Y5N1 1/20 0.47
ACHE P22303 5/20 0.47
BACE1 P56817 5/20 0.47
BCHE P06276 3/20 0.47
SSTR3 P32745 1/20 0.45
FABP6 P51161 1/20 0.45
MEN1 O00255 3/20 0.45
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
TEAD1 P28347 1/20 0.44
RAB9A P51151 1/20 0.43
GRIN2B Q13224 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL29056584 0.86 HDAC1 (0.59) DRD4HDAC1KMT2AHRH3SSTR3
SCHEMBL4214296 0.86 CHKA (0.50) DRD4HDAC1KMT2AMEN1ALDH1A1
Oxalic Acid SCHEMBL28548418 0.83 BCHE (0.58) CARM1PRMT6KMT2AHRH3ACHE
SCHEMBL791504 0.82 CHEK1 (0.54) HDAC1KMT2ASSTR3MEN1RAB9A
SCHEMBL4210239 0.81 CARM1 (0.49) CARM1PRMT6KMT2AHRH3ACHE
SCHEMBL21089268 0.81 HDAC1 (0.72) HDAC1KMT2AHRH3SSTR3MEN1
SCHEMBL14487967 0.81 ACHE (0.50) DRD4CARM1PRMT6KMT2AACHE
SCHEMBL8081164 0.81 ACHE (0.68) CARM1PRMT6KMT2AACHEBACE1
SCHEMBL27709142 0.80 BCHE (0.49) DRD4ACHEBACE1BCHE
SCHEMBL21235736 0.80 CARM1 (0.50) CARM1PRMT6KMT2AHRH3ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1787984-A2 AZACYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF SEROTONIN RELATED DISEASES Arcadia Pharmaceuticals Inc. (US) 2007-05-23 EP disclosed