SCHEMBL14062803

SCHEMBL14062803

Fc1ccc(-c2ccc(C3CCC(OCC4CO4)CC3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 2/20 0.40
▸ SLC18A3 Q16572 2/20 0.35
▸ HTR1A P08908 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ DRD1 P21728 1/20 0.34
▸ DRD5 P21918 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ PTGS1 P23219 2/20 0.34
▸ PTGS2 P35354 2/20 0.34
▸ MGLL Q99685 1/20 0.33
▸ USP5 P45974 1/20 0.33
▸ NAAA Q02083 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
SCHEMBL14062893 0.96 HCRTR2 (0.39) HCRTR2SLC18A3HTR1ADRD2DRD1
SCHEMBL14062574 0.96 HCRTR2 (0.42) HCRTR2SLC18A3HTR1ADRD2DRD1
SCHEMBL14062735 0.91 HCRTR2 (0.40) HCRTR2SLC18A3HTR1ADRD2DRD1
SCHEMBL14062793 0.89 HCRTR2 (0.36) HCRTR2SLC18A3HTR1ADRD2DRD1
SCHEMBL14062787 0.87 HCRTR2 (0.38) HCRTR2MGLLUSP5NAAA
SCHEMBL14062796 0.87 HCRTR2 (0.32) HCRTR2MGLLNAAA
SCHEMBL14062891 0.86 HCRTR2 (0.34) HCRTR2SLC18A3HTR1ADRD2DRD1
SCHEMBL14062790 0.86 ALDH1A1 (0.36) HCRTR2SLC18A3MGLLUSP5NAAA
SCHEMBL14062944 0.85 KMT2A (0.39) HCRTR2DRD2USP5
SCHEMBL14063025 0.84 ALDH1A1 (0.49) HCRTR2

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-7425354-B2 Photopolymerizable liquid crystal composition, its polymer or polymer composition, and optical compensation element CHISSO CORPORATION (JP) 2008-09-16 — — US disclosed
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