SCHEMBL8137939

SCHEMBL8137939

FCC1(CF)Oc2ccc(C(F)(F)F)cc2C2OC21

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CHRNB2 P17787 2/20 0.32
CHRNA4 P43681 2/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
PNMT P11086 1/20 0.32
TRPV1 Q8NER1 8/20 0.32
TERT O14746 1/20 0.30
CTNNB1 P35222 1/20 0.30
WNT3A P56704 1/20 0.30
KIF11 P52732 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
SCHEMBL8136338 0.90
SCHEMBL8130519 0.87
SCHEMBL9299207 0.79 CYP1A2 (0.37) CYP1A2CYP2D6CHRNB2CHRNA4CHRNB4
SCHEMBL7768331 0.79 CYP1A2 (0.37) CYP1A2CYP2D6CHRNB2CHRNA4CHRNB4
SCHEMBL7093486 0.77 CYP1A2 (0.33) CYP1A2CYP2D6CHRNB2CHRNA4CHRNB4
SCHEMBL8130434 0.74 LMNA (0.35) CHRNB4CHRNA3
SCHEMBL7874514 0.70 IDO1 (0.33)
SCHEMBL8137223 0.69 TRPV1 (0.34) TRPV1
SCHEMBL8137221 0.69 TRPV1 (0.34) TRPV1
SCHEMBL8137219 0.69 TRPV1 (0.34) TRPV1

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