SCHEMBL8768044

SCHEMBL8768044

COC(=O)N(Cc1ccccc1)[C@H]1Cc2cc(OC)ccc2C(=O)[C@H]1C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 2/20 0.45
ACHE P22303 4/20 0.44
BCHE P06276 3/20 0.44
CYP24A1 Q07973 5/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP19A1 P11511 1/20 0.42
DRD2 P14416 2/20 0.41
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
HTR2B P41595 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
TSHR P16473 1/20 0.41
CYP26A1 O43174 2/20 0.41
CYP27A1 Q02318 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 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
SCHEMBL8767407 0.82 TSHR (0.41) ACHEBCHETSHRMTNR1AMTNR1B
SCHEMBL8768766 0.81 ACHE (0.45) METAP1ACHEBCHEALDH1A1CYP19A1
SCHEMBL8767508 0.80 ACHE (0.46) METAP1ACHEBCHECYP24A1TSHR
SCHEMBL8768151 0.74 DRD2 (0.52) ACHECYP19A1DRD2SIGMAR1MTNR1A
SCHEMBL5582351 0.70 CYP19A1 (0.77) METAP1ACHECYP24A1CYP19A1CYP26A1
SCHEMBL4623145 0.68 CYP24A1 (0.66) METAP1ACHEBCHECYP24A1CYP19A1
SCHEMBL11826337 0.67 ACHE (0.43) ACHEBCHECYP24A1CYP19A1TSHR
SCHEMBL691404 0.67 SLC6A2 (0.52) HTR2A
SCHEMBL5359275 0.67 TSHR (0.46) ALDH1A1TSHRSMN1; SMN2
SCHEMBL6272399 0.67 METAP1 (0.65) METAP1ACHECYP24A1CYP19A1CYP26A1

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-0579833-B1 ETHANOLAMINE DERIVATIVES WITH ANTI-POLLAKIURIA ACTIVITY FUJISAWA PHARMACEUTICAL CO (JP) 1997-08-20 EP disclosed
EP-0579833-A1 ETHANOLAMINE DERIVATIVES WITH ANTI-POLLAKIURIA ACTIVITY. FUJISAWA PHARMACEUTICAL CO (JP) 1994-01-26 EP disclosed
WO-1992018461-A1 ETHANOLAMINE DERIVATIVES WITH ANTI-POLLAKIURIA ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-10-29 WO disclosed