SCHEMBL9377705

SCHEMBL9377705

OC[C@@H]1O[C@H]1c1cccc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.47
HTR2A P28223 1/20 0.44
HTR2B P41595 1/20 0.44
SLC5A2 P31639 6/20 0.43
CES2 O00748 1/20 0.43
HTR1A P08908 1/20 0.42
KDM1A O60341 1/20 0.41
RCOR1 Q9UKL0 1/20 0.41
DRD2 P14416 1/20 0.40

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
SCHEMBL4081348 1.00 HTR2C (0.47) HTR2CHTR2AHTR2BSLC5A2CES2
SCHEMBL1594507 0.81 HTR2C (0.41) HTR2CSLC5A2
SCHEMBL12056442 0.81 HTR2C (0.41) HTR2CSLC5A2
SCHEMBL9380359 0.81 HTR2C (0.41) HTR2CSLC5A2
SCHEMBL30450943 0.80 MAPT (0.42) HTR2CHTR2AHTR2BSLC5A2HTR1A
SCHEMBL4087278 0.77 SLC5A2 (0.50) HTR2CHTR2AHTR2BSLC5A2
SCHEMBL4717027 0.77 SLC5A2 (0.50) HTR2CHTR2AHTR2BSLC5A2
SCHEMBL4987870 0.77 SLC5A2 (0.50) HTR2CHTR2AHTR2BSLC5A2
SCHEMBL4986893 0.77 SLC5A2 (0.50) HTR2CHTR2AHTR2BSLC5A2
SCHEMBL4077149 0.76 SLC5A2 (0.46) SLC5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0335315-B1 New alkanephenones CIBA GEIGY AG (CH) 1994-06-22 EP disclosed
US-5149717-A Alkanophenones useful for treating allergies CIBA-GEIGY CORPORATION (US) 1992-09-22 US disclosed
EP-0335315-A1 New alkanephenones CIBA-GEIGY AG (CH) 1989-10-04 EP disclosed