SCHEMBL5709443

SCHEMBL5709443

Fc1cc2c(cc1F)C(c1ccc(Cl)cc1)CC2

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.41
CYP17A1 P05093 2/20 0.41
CYP11B2 P19099 2/20 0.41
CYP11B1 P15538 1/20 0.40
SLC6A2 P23975 3/20 0.39
SLC6A4 P31645 3/20 0.39
SLC6A3 Q01959 3/20 0.39
KDM1A O60341 1/20 0.38
IGF1R P08069 1/20 0.36
ALOX15 P16050 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35

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
SCHEMBL5709365 0.81 SRD5A1 (0.45) CYP3A4CYP17A1CYP11B2CYP11B1SLC6A2
SCHEMBL15679221 0.81 KDM1A (0.48) SLC6A2SLC6A4KDM1A
SCHEMBL5709402 0.79 CYP17A1 (0.46) CYP3A4CYP17A1CYP11B2CYP11B1SLC6A2
SCHEMBL5709468 0.75 SLC6A4 (0.41) CYP3A4CYP17A1CYP11B2CYP11B1SLC6A2
SCHEMBL5709417 0.74 PRCP (0.56) SLC6A2SLC6A4SLC6A3
Alcohol SCHEMBL27680722 0.73 CYP3A4 (0.50) CYP3A4CYP17A1CYP11B2CYP11B1SLC6A2
SCHEMBL27680731 0.72 TRPM5 (0.47) SLC6A2SLC6A4SLC6A3KDM1A
SCHEMBL8528885 0.72 ESR1 (0.45) CYP3A4CYP17A1CYP11B2CYP11B1KDM1A
SCHEMBL5709325 0.72 CA1 (0.54) SLC6A2SLC6A4SLC6A3KDM1ACA1
SCHEMBL24899246 0.71 KDM1A (0.49) CYP3A4CYP17A1CYP11B2CYP11B1KDM1A

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
CN-1950328-A Phenyl indan derivatives LUNDBECK & CO AS H (DK) 2007-04-18 CN disclosed
EP-1727785-A1 PHENYL INDAN DERIVATIVES H.Lundbeck A/S (DK) 2006-12-06 EP disclosed
WO-2005087708-A1 PHENYL INDAN DERIVATIVES H. LUNDBECK A/S (DK) 2005-09-22 WO disclosed