SCHEMBL9766035

SCHEMBL9766035

O=S(=O)(CCCN1CCN(c2ncc(F)cn2)CC1)c1ccc(F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.65
DRD2 P14416 2/20 0.58
KDM4E B2RXH2 1/20 0.58
CYP1A2 P05177 1/20 0.58
GAA P10253 1/20 0.58
CYP2C9 P11712 1/20 0.58
POLB P06746 1/20 0.56
HTR1A P08908 2/20 0.54
DRD1 P21728 1/20 0.52
DRD5 P21918 1/20 0.52
HTR2A P28223 1/20 0.52
DRD3 P35462 1/20 0.52

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
SCHEMBL9765984 0.79 SIGMAR1 (1.00) SIGMAR1DRD2KDM4ECYP1A2GAA
SCHEMBL9765977 0.77 SIGMAR1 (1.00) SIGMAR1DRD2KDM4ECYP1A2GAA
SCHEMBL11876150 0.77 POLB (0.49) SIGMAR1DRD2POLBHTR1ADRD1
SCHEMBL9766026 0.76 SIGMAR1 (1.00) SIGMAR1DRD2KDM4ECYP1A2GAA
SCHEMBL10435199 0.75 SIGMAR1 (0.64) SIGMAR1DRD2KDM4ECYP1A2GAA
SCHEMBL7246517 0.75 DRD2 (0.82) SIGMAR1DRD2KDM4ECYP1A2GAA
SCHEMBL9765998 0.74 SIGMAR1 (1.00) SIGMAR1DRD2KDM4ECYP1A2GAA
SCHEMBL9602967 0.74 SIGMAR1 (0.79) SIGMAR1DRD2KDM4ECYP1A2GAA
SCHEMBL9766043 0.74 SIGMAR1 (0.82) SIGMAR1DRD2KDM4ECYP1A2GAA
SCHEMBL9766008 0.74 SIGMAR1 (0.60) SIGMAR1DRD2KDM4ECYP1A2GAA

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
US-4994460-A Treatment or prevention of disorders resulting from central nervous system anoxia BRISTOL-MYERS SQUIBB CO. (US) 1991-02-19 US claimed
EP-0400661-A1 Agents for treatment of brain ischemia Bristol-Myers Squibb Company (US) 1990-12-05 EP claimed
US-4994460-A Treatment or prevention of disorders resulting from central nervous system anoxia BRISTOL-MYERS SQUIBB CO. (US) 1991-02-19 US disclosed
EP-0400661-A1 Agents for treatment of brain ischemia Bristol-Myers Squibb Company (US) 1990-12-05 EP disclosed