SCHEMBL8917939

SCHEMBL8917939

CCCCCCCCOc1ncc(-c2ccc(C(OC(c3ccc(-c4cnc(OCCCCCCCC)nc4)cc3)C3COC4(CCCCC4)O3)C3COC4(CCCCC4)O3)cc2)cn1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 3/20 0.31
HTR1A P08908 2/20 0.31
ADRA1B P35368 2/20 0.31
ADRA1A P35348 1/20 0.31

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
SCHEMBL8917931 1.00 ADRA1D (0.31) ADRA1DHTR1AADRA1BADRA1A
SCHEMBL8917599 0.89
SCHEMBL9525010 0.88 SLC5A2 (0.30)
SCHEMBL8916677 0.86 KDM4E (0.31)
SCHEMBL8916664 0.86 KDM4E (0.31)
SCHEMBL9524889 0.79 ADRA1D (0.42) ADRA1DHTR1AADRA1BADRA1A
SCHEMBL7502807 0.79 ADRA1D (0.42) ADRA1DHTR1AADRA1BADRA1A
SCHEMBL9523947 0.77
SCHEMBL9525256 0.77 GCGR (0.33)
SCHEMBL8874773 0.76 RARB (0.36) ADRA1DHTR1AADRA1B

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-5651918-A Optically active 1,3-dioxolane derivatives carrying a mesogenic radical in the 4-position, a process for their preparation and their use as doping agents in liquid-crystal mixtures HOECHST AKTIENGESELLSCHAFT (DE) 1997-07-29 US disclosed
US-5348684-A Organosilylalkyl or organosilylalkenyl compounds, process for preparing them and their use in liquid-crystalline mixtures HOECHST AKTIENGESELLSCHAFT (DE) 1994-09-20 US disclosed