SCHEMBL8961202

SCHEMBL8961202

Fc1ccc(OCCCCCCC2CC2)cc1F

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.45
HTR1A P08908 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
GPR119 Q8TDV5 5/20 0.42
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
MAOB P27338 1/20 0.38
AOC3 Q16853 1/20 0.38
HPGD P15428 2/20 0.38
PTGES O14684 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
LSS P48449 1/20 0.37
NFE2L2 Q16236 1/20 0.37
GRM2 Q14416 1/20 0.37

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
SCHEMBL9589999 0.90 TDP1 (0.43) TDP1GPR119ITGB3ITGA2B
SCHEMBL9591311 0.90 TDP1 (0.43) TDP1GPR119ITGB3ITGA2B
SCHEMBL9349567 0.90 TDP1 (0.43) TDP1GPR119ITGB3ITGA2B
SCHEMBL9345318 0.90 TDP1 (0.43) TDP1GPR119ITGB3ITGA2B
SCHEMBL9346319 0.90 TDP1 (0.43) TDP1GPR119ITGB3ITGA2B
SCHEMBL9590846 0.90 TDP1 (0.43) TDP1GPR119ITGB3ITGA2B
SCHEMBL9188856 0.88 TDP1 (0.44) TDP1HTR1AHTR1DHTR1BGPR119
SCHEMBL9188863 0.88 TDP1 (0.44) TDP1HTR1AHTR1DHTR1BGPR119
SCHEMBL9592319 0.86 GPR119 (0.45) TDP1GPR119HRH3
SCHEMBL9348727 0.86 GPR119 (0.45) TDP1HTR1AHTR1DHTR1BGPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0398155-B1 Cyclopropylalkyl or cycloalkenyl compounds, process for their preparation and their use in liquid crystal mixtures HOECHST AG (DE) 1996-02-07 EP disclosed
US-5407599-A Cyclopropylaklyl or -alkenyl or heterocyclic compounds, process for their preparation and their use in liquid-crystalline mixtures HOECHST AKTIENGESELLSCHAFT (DE) 1995-04-18 US disclosed
EP-0398155-A2 Cyclopropylalkyl or cycloalkenyl compounds, process for their preparation and their use in liquid crystal mixtures HOECHST AKTIENGESELLSCHAFT (DE) 1990-11-22 EP disclosed