SCHEMBL9766026

SCHEMBL9766026

Fc1ccc(OCCCN2CCN(c3ncc(F)cn3)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 6/20 1.00
DRD2 P14416 6/20 0.80
DRD3 P35462 5/20 0.80
HTR1A P08908 4/20 0.80
HTR2A P28223 4/20 0.80
DRD1 P21728 4/20 0.80
HRH1 P35367 3/20 0.65
TMEM97 Q5BJF2 1/20 0.65
DRD5 P21918 3/20 0.64
KDM4E B2RXH2 1/20 0.63
CYP1A2 P05177 1/20 0.63
GAA P10253 1/20 0.63
CYP2C9 P11712 1/20 0.63
ADRA2C P18825 1/20 0.63
HTR7 P34969 1/20 0.63
HRH2 P25021 1/20 0.62
HRH3 Q9Y5N1 1/20 0.62
USP2 O75604 1/20 0.59
ALDH1A1 P00352 1/20 0.59
HPGD P15428 1/20 0.59

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
SCHEMBL1728918 0.85 USP2 (0.78) SIGMAR1DRD2DRD3HTR1AHTR2A
SCHEMBL10905042 0.83 SIGMAR1 (0.70) SIGMAR1DRD2DRD3HTR1AHTR2A
SCHEMBL13698800 0.82 USP2 (0.73) SIGMAR1DRD2DRD3HTR1AHTR2A
SCHEMBL9765998 0.81 SIGMAR1 (1.00) SIGMAR1DRD2DRD3HTR1AHTR2A
SCHEMBL9765984 0.81 SIGMAR1 (1.00) SIGMAR1DRD2DRD3HTR1AHTR2A
Hydrochloric Acid SCHEMBL1730768 0.81 USP2 (0.71) SIGMAR1DRD2DRD3HTR1AHTR2A
SCHEMBL12359053 0.79 USP2 (0.91) SIGMAR1DRD2DRD3HTR1AHTR2A
SCHEMBL9602967 0.78 SIGMAR1 (0.79) SIGMAR1DRD2KDM4ECYP1A2GAA
SCHEMBL9766043 0.78 SIGMAR1 (0.82) SIGMAR1DRD2DRD3HTR1AHTR2A
SCHEMBL24324269 0.78 USP2 (0.68) SIGMAR1DRD2DRD3HTR1AHTR2A

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
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