SCHEMBL8130351

SCHEMBL8130351

FC(F)C1C=Cc2cc(I)ccc2O1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ P2RY6 Q15077 3/20 0.38
▸ ADRA2A P08913 1/20 0.38
▸ DRD5 P21918 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38
▸ PNMT P11086 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
SCHEMBL6356220 0.70 NLRP3 (0.39) P2RY6ADRA2ADRD5SIGMAR1
SCHEMBL1924065 0.62 HTR2C (0.36) P2RY6ADRA2A
SCHEMBL2400457 0.62 HTR2C (0.36) P2RY6ADRA2A
SCHEMBL18617980 0.58 CYP2B6 (0.42) P2RY6
SCHEMBL3049240 0.57 ALDH1A1 (0.46) —
SCHEMBL8130347 0.57 PTGS1 (0.36) —
SCHEMBL24539173 0.56 — —
SCHEMBL9347464 0.55 — —
SCHEMBL13782969 0.54 PNMT (0.33) ADRA2APNMT
SCHEMBL13782632 0.54 PNMT (0.33) ADRA2APNMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0655448-B1 BENZOPYRAN AND BENZOXAZINE DERIVATIVES CHUGAI PHARMACEUTICAL CO LTD (JP) 2000-04-12 — — EP disclosed
US-5977167-A Benzopyran and benzoxazine derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1999-11-02 — — US disclosed
US-5874446-A ANTIASTHMATICS, ANTIEPILEPSY AGENTS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1999-02-23 — — US disclosed
US-5614633-A POTASSIUM CHANNEL ACTIVATOR CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1997-03-25 — — US disclosed
EP-0655448-A1 BENZOPYRAN AND BENZOXAZINE DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1995-05-31 — — EP disclosed
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