SCHEMBL5836563

SCHEMBL5836563

CCC[C@H]1CC[C@H](C2CCC(c3ccccc3OC(F)(F)F)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.40
HCRTR2 O43614 5/20 0.40
HTR1D P28221 2/20 0.38
HTR1B P28222 2/20 0.38
DRD1 P21728 1/20 0.37
DRD4 P21917 1/20 0.37
DRD5 P21918 1/20 0.37
DRD3 P35462 1/20 0.37
HTR2C P28335 2/20 0.36
HCRTR1 O43613 2/20 0.36
PROKR1 Q8TCW9 1/20 0.36
CYP2C9 P11712 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
SSTR1 P30872 1/20 0.33
SSTR4 P31391 1/20 0.33

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
SCHEMBL5836573 1.00 DRD2 (0.40) DRD2HCRTR2HTR1DHTR1BDRD1
SCHEMBL8726210 0.92 HCRTR2 (0.39) DRD2HCRTR2HTR1DHTR1BDRD1
SCHEMBL8726207 0.92 HCRTR2 (0.39) DRD2HCRTR2HTR1DHTR1BDRD1
SCHEMBL8726255 0.91 HCRTR2 (0.38) DRD2HCRTR2HTR1DHTR1BDRD1
SCHEMBL8726254 0.91 HCRTR2 (0.38) DRD2HCRTR2HTR1DHTR1BDRD1
SCHEMBL5836080 0.90 HCRTR2 (0.40) DRD2HCRTR2HTR1DHTR1BDRD1
SCHEMBL5836076 0.90 HCRTR2 (0.40) DRD2HCRTR2HTR1DHTR1BDRD1
SCHEMBL9239246 0.85 DRD2 (0.36) DRD2HCRTR2HTR1DHTR1BDRD1
SCHEMBL20808305 0.82 CYP2C9 (0.34) CYP2C9MEN1KMT2AALDH1A1LMNA
SCHEMBL20797103 0.82 CYP2C9 (0.34) CYP2C9MEN1KMT2AALDH1A1LMNA

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-7045176-B2 Liquid crystal composition having high-speed response property and liquid crystal display using the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2006-05-16 US disclosed
US-20040119051-A1 Liquid crystal composition having high-speed response property and liquid crystal display using the same SAMSUNG ELECTRONICS CO., LTD. 2004-06-24 US disclosed
US-5753142-A Nematic liquid-crystal composition for active matrix application MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-05-19 US disclosed
EP-0406468-B1 NEMATIC-LIQUID-CRYSTAL COMPOSITION FOR ACTIVE MATRIX APPLICATION SHARP CORPORATION (JP) 1992-10-21 EP disclosed