SCHEMBL5198350

SCHEMBL5198350

CC(C)(C)C(=O)OCCC1CCN(C(=O)O)CC1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 3/20 0.39
TEAD1 P28347 1/20 0.38
TEAD3 Q99594 1/20 0.38
GPR119 Q8TDV5 9/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ENO1 P06733 1/20 0.34
AKR1C3 P42330 1/20 0.34
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL4096002 0.83 GPR119 (0.50) GPR119KDM4EPKM
SCHEMBL17740621 0.78 FKBP1A (0.43) CHRM4
SCHEMBL5811710 0.76 CHRM4 (0.38) CHRM4TEAD1TEAD3GPR119AKR1C3
SCHEMBL5811849 0.76 CHRM4 (0.41) CHRM4TEAD1TEAD3GPR119
SCHEMBL4104916 0.75 SLC6A1 (0.39) POLBGAANPSR1
SCHEMBL458216 0.74 GPR119 (0.38) TEAD1TEAD3GPR119AKR1C3KDM4E
SCHEMBL4523080 0.74 SLC18A3 (0.38) CHRM4TEAD1TEAD3
Hydrochloric Acid SCHEMBL7424095 0.73 GNAO1 (0.38) POLBGAANPSR1
SCHEMBL12016032 0.73 GNAI3 (0.45) POLBPKM
SCHEMBL6265066 0.73 THRA (0.43) AKR1C3KDM4EPKM

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-1828176-A1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS Acadia Pharmaceuticals Inc. (US) 2007-09-05 EP disclosed
WO-2006068904-A1 TETRAHYDROQUINOLINE ANALOGUES AS MUSCARINIC AGONISTS ACADIA PHARMACEUTICALS INC. (US) 2006-06-29 WO disclosed