SCHEMBL9371817

SCHEMBL9371817

O=C1CCCN1C(=O)NCCN1CC=C(c2ccc(Cl)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.56
SIGMAR1 Q99720 12/20 0.54
DRD2 P14416 1/20 0.47

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
SCHEMBL9372501 0.94 SIGMAR1 (0.52) HTR1ASIGMAR1DRD2
SCHEMBL7297853 0.84 SIGMAR1 (0.48) HTR1ASIGMAR1DRD2
SCHEMBL7333358 0.83 HTR1A (0.48) HTR1ASIGMAR1DRD2
SCHEMBL7335487 0.82 SIGMAR1 (0.47) HTR1ASIGMAR1DRD2
SCHEMBL7299309 0.81 SIGMAR1 (0.49) SIGMAR1
SCHEMBL9735887 0.80 PARP1 (0.45) HTR1ASIGMAR1DRD2
Maleic Acid SCHEMBL9375437 0.79 SIGMAR1 (0.46) HTR1ASIGMAR1
Fumaric Acid SCHEMBL9375443 0.79 SIGMAR1 (0.46) HTR1ASIGMAR1
SCHEMBL7304233 0.78 SIGMAR1 (0.49) HTR1ASIGMAR1
SCHEMBL9371421 0.76 DRD2 (0.59) DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0304330-B1 Carbamoylpyrrolidone derivatives, their use and preparation SHIONOGI & CO (JP) 1994-03-30 EP claimed
US-4977167-A Alzheimer*s disease SHIONOGI & CO., LTD. (JP) 1990-12-11 US claimed
EP-0304330-B1 Carbamoylpyrrolidone derivatives, their use and preparation SHIONOGI & CO (JP) 1994-03-30 EP disclosed
US-5202345-A Carbamoylpyrrolidone derivatives and drugs for senile dementia SHIONOGI & CO., LTD. (JP) 1993-04-13 US disclosed
US-5120733-A Cognition activators and psychological disorders SHIONOGI AND CO. LTD. (JP) 1992-06-09 US disclosed
EP-0304330-A1 Carbamoylpyrrolidone derivatives, their use and preparation SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1989-02-22 EP disclosed