SCHEMBL7984349

SCHEMBL7984349

O=c1[nH]c2ccc3c(c2[nH]c1=O)CN(Cc1ccc(C(F)(F)F)cc1)CC3

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CLPP Q16740 3/20 0.48
ACACB O00763 1/20 0.44
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
PARP1 P09874 1/20 0.41

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
SCHEMBL8175725 0.87 KDM4E (0.46) CLPPDRD2DRD3KDM4EALDH1A1
SCHEMBL6780845 0.77 GRIA1 (0.56)
SCHEMBL7984647 0.74 KDM4E (0.48) CLPPACACBDRD2DRD4DRD3
SCHEMBL7984314 0.74 GRIA1 (0.55) CLPPDRD2DRD4DRD3KDM4E
SCHEMBL2095548 0.70 ACACB (0.57) CLPPACACBDRD2DRD4DRD3
SCHEMBL4157838 0.70 MEN1 (0.58) KDM4EALDH1A1
SCHEMBL6786694 0.70 GRIA1 (0.53)
SCHEMBL7103939 0.70 GRIA1 (0.56)
SCHEMBL8108271 0.69 KDM4E (0.67) DRD2KDM4EALDH1A1
SCHEMBL4145765 0.69 KDM4E (0.67) DRD2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996028445-A1 NOVEL GLUTAMATE (AMPA/KAINATE) RECEPTOR ANTAGONISTS: N-SUBSTITUTED FUSED AZACYCLOALKYLQUINOXALINEDIONES WARNER-LAMBERT COMPANY (US) 1996-09-19 WO claimed
US-6197771-B1 NERVOUS SYSTEM DISORDERS; ANTIISCHEMIC AGENTS; ALZHEIMER'SDISEASE; PARKINSON'S DISEASE; HUNTINGTON'S DISEASE WARNER-LAMBERT COMPANY 2001-03-06 US disclosed
US-6057313-A TREATING CENTRAL NERVOUS SYSTEM DISORDERS WARNER-LAMBERT COMPANY (US) 2000-05-02 US disclosed
WO-1996028445-A1 NOVEL GLUTAMATE (AMPA/KAINATE) RECEPTOR ANTAGONISTS: N-SUBSTITUTED FUSED AZACYCLOALKYLQUINOXALINEDIONES WARNER-LAMBERT COMPANY (US) 1996-09-19 WO disclosed