SCHEMBL11445324

SCHEMBL11445324

COC(=O)C1CC(=O)n2c3c(c4cc(F)ccc42)CCNC31

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK2 P49137 2/20 0.38
▸ HTR2A P28223 3/20 0.36
▸ HTR2C P28335 3/20 0.36
▸ HTR2B P41595 2/20 0.36
▸ PER2 O15055 9/20 0.35
▸ CRY2 Q49AN0 7/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA4 P22748 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ ADRB1 P08588 1/20 0.34
▸ HTR1A P08908 1/20 0.34
▸ ADRA2C P18825 1/20 0.34
▸ HTR1D P28221 1/20 0.34
▸ HTR7 P34969 1/20 0.34
▸ HTR5A P47898 1/20 0.34
▸ HTR6 P50406 1/20 0.34
▸ TMEM97 Q5BJF2 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.34
▸ PTGDR2 Q9Y5Y4 2/20 0.34

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
SCHEMBL11445075 0.85 MEN1 (0.37) MAPKAPK2HTR2AHTR2CCA1CA2
SCHEMBL11445321 0.74 PER2 (0.41) MAPKAPK2PER2CRY2HTR1A
SCHEMBL11455502 0.72 MAPKAPK2 (0.41) MAPKAPK2HTR2AHTR2CHTR6PTGDR2
SCHEMBL11463557 0.69 MEN1 (0.33) MAPKAPK2PTGDR2
SCHEMBL16602554 0.69 MAPKAPK2 (0.55) MAPKAPK2PER2CRY2HTR6PTGDR2
SCHEMBL11453418 0.65 PDE1A (0.41) HTR2BCA1CA2CA4CA7
Hydrochloric Acid SCHEMBL11272723 0.65 MAPKAPK2 (0.73) MAPKAPK2HTR2AHTR2CHTR2BADRB1
SCHEMBL6234161 0.64 MAPKAPK2 (0.59) MAPKAPK2
SCHEMBL6240818 0.62 MAPKAPK2 (0.56) MAPKAPK2HTR6PTGDR2
SCHEMBL17945910 0.62 MAPKAPK2 (0.52) MAPKAPK2HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4190657-A ANTI-ANOXIA AND PSYCHOTROPIC ACTIVITY SYNTHELABO (FR) 1980-02-26 — — US disclosed
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