SCHEMBL13994429

SCHEMBL13994429

C=CCBc1cc(F)ccc1C

nearest known ligand 0.30

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ HTR1A P08908 1/20 0.30
▸ ADRA2A P08913 1/20 0.30
▸ DRD2 P14416 1/20 0.30
▸ ADRA2B P18089 1/20 0.30
▸ ADRA2C P18825 1/20 0.30
▸ SLC6A2 P23975 1/20 0.30
▸ HTR1D P28221 1/20 0.30
▸ HTR1B P28222 1/20 0.30
▸ HTR2A P28223 1/20 0.30
▸ HTR2C P28335 1/20 0.30
▸ HTR1E P28566 1/20 0.30
▸ SLC6A4 P31645 1/20 0.30
▸ HTR7 P34969 1/20 0.30
▸ ADRA1A P35348 1/20 0.30
▸ HRH1 P35367 1/20 0.30
▸ DRD3 P35462 1/20 0.30
▸ OPRK1 P41145 1/20 0.30

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
SCHEMBL13994400 0.77 PTGS1 (0.32) HTR2ASLC6A4
SCHEMBL13994428 0.73 PTGS1 (0.33) —
SCHEMBL13994424 0.73 PTGS1 (0.33) SLC6A2SLC6A4SLC6A3
SCHEMBL13994491 0.71 PTGS1 (0.33) HTR7
SCHEMBL13994430 0.71 PYCR1 (0.32) —
SCHEMBL13994405 0.70 ALDH1A1 (0.40) —
SCHEMBL13994426 0.70 ACHE (0.40) CYP3A4CYP2C9CYP2C19
SCHEMBL14488876 0.70 NR3C1 (0.34) CYP3A4
SCHEMBL2688432 0.70 ACHE (0.36) HTR2ASLC6A4
SCHEMBL13994470 0.69 GHSR (0.35) CYP2C9CYP2C19HTR7

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-7470015-B2 Inkjet-recording ink composition and image-forming process FUJIFILM CORPORATION (JP) 2008-12-30 — — US disclosed
US-7229737-B2 Photopolymerizable composition and recording material and recording process using the same FUJIFILM CORPORATION (JP) 2007-06-12 — — US disclosed
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