SCHEMBL11087004

SCHEMBL11087004

CCOC(=O)C(CCN)c1c[nH]c2ccc(F)cc12

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
MPO P05164 12/20 0.44
HTR2A P28223 3/20 0.44
TRPM8 Q7Z2W7 1/20 0.44
SLC6A4 P31645 3/20 0.43
HTR1A P08908 1/20 0.43
KMT2A Q03164 1/20 0.43
TSHR P16473 1/20 0.42
HTR2C P28335 1/20 0.41
NOTUM Q6P988 2/20 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
SCHEMBL11082452 0.85 HTR2A (0.56) ALDH1A1HTR2ATRPM8HTR1AKMT2A
Hydrochloric Acid SCHEMBL11378224 0.79 SPR (0.46) MPOHTR2ATRPM8SLC6A4HTR1A
SCHEMBL3714073 0.78 MPO (0.49) MPOHTR2ATRPM8SLC6A4HTR1A
SCHEMBL2405000 0.78 MPO (0.51) MPOHTR2ATRPM8SLC6A4HTR1A
SCHEMBL11263327 0.76 TSHR (0.52) MPOHTR2ATRPM8SLC6A4HTR1A
SCHEMBL27661309 0.76 ALDH1A1 (0.47) ALDH1A1MPOHTR2ATSHRHTR2C
SCHEMBL5791665 0.76 ALDH1A1 (0.47) ALDH1A1MPOHTR2ATSHRHTR2C
SCHEMBL27661295 0.76 ALDH1A1 (0.47) ALDH1A1MPOHTR2ATSHRHTR2C
SCHEMBL9017511 0.75 TSHR (0.48) MPOHTR2ASLC6A4KMT2ATSHR
SCHEMBL23116706 0.74 ALDH2 (0.36) ALDH1A1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4444768-A ICE CREAM CONE WRAPPER CIBA-GEIGY CORPORATION (US) 1984-04-24 US disclosed