SCHEMBL9876395

SCHEMBL9876395

Fc1cccc(OC2CC(c3ccccc3)CC(Oc3ccc(Cl)cc3)O2)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.39
SLC6A2 P23975 6/20 0.39
SLC6A3 Q01959 6/20 0.39
KDM1A O60341 5/20 0.36
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
FFAR4 Q5NUL3 3/20 0.33
EPHX2 P34913 2/20 0.33
HTR1A P08908 2/20 0.33
CNR1 P21554 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
SCHEMBL9876363 0.75 SLC6A4 (0.39) SLC6A4SLC6A2SLC6A3KDM1AMAOA
SCHEMBL10697410 0.75 SLC6A4 (0.40) SLC6A4SLC6A2SLC6A3KDM1AMAOA
SCHEMBL10697433 0.72 IDO1 (0.36) SLC6A4SLC6A2SLC6A3KDM1AMAOA
SCHEMBL9876253 0.71 EPHX2 (0.33) SLC6A4SLC6A2SLC6A3FFAR4EPHX2
SCHEMBL11818288 0.66 MAOA (0.47) SLC6A4MAOAMAOBPPARGPPARA
SCHEMBL9876114 0.63 SLC6A4 (0.38) SLC6A4SLC6A2SLC6A3KDM1AMAOA
SCHEMBL9876112 0.63 SLC6A4 (0.38) SLC6A4SLC6A2SLC6A3KDM1AMAOA
SCHEMBL24256662 0.63 SLC5A1 (0.43) SLC6A4SLC6A2SLC6A3
SCHEMBL6917165 0.61 HRH1 (0.47) SLC6A4SLC6A2SLC6A3HTR1A
SCHEMBL21550571 0.61 HTR2A (0.45) KDM1AMAOAMAOB

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
EP-0254078-B1 PYRAN DERIVATIVES BASF Aktiengesellschaft (DE) 1991-02-06 EP disclosed
EP-0254078-A1 Pyran derivatives BASF Aktiengesellschaft (DE) 1988-01-27 EP disclosed