SCHEMBL27367888

SCHEMBL27367888

CC1OCCN[C@H]1c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.41
SLC6A2 P23975 1/20 0.41
ADRA1A P35348 1/20 0.41
HTR2B P41595 1/20 0.41
SLC6A3 Q01959 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TACR1 P25103 1/20 0.35
PRCP P42785 1/20 0.35
SCN9A Q15858 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
SCHEMBL11141618 0.82 SLC6A2 (0.61) CHRNA7SLC6A2ADRA1AHTR2BSLC6A3
SCHEMBL20105596 0.82 SLC6A2 (0.61) CHRNA7SLC6A2ADRA1AHTR2BSLC6A3
Hydrochloric Acid SCHEMBL15921747 0.81 SLC6A2 (0.59) CHRNA7SLC6A2ADRA1AHTR2BSLC6A3
Hydrochloric Acid SCHEMBL15922321 0.81 SLC6A2 (0.59) CHRNA7SLC6A2ADRA1AHTR2BSLC6A3
Hydrochloric Acid SCHEMBL15921749 0.81 SLC6A2 (0.59) CHRNA7SLC6A2ADRA1AHTR2BSLC6A3
SCHEMBL2599478 0.76 SLC6A2 (0.72) CHRNA7SLC6A2ADRA1AHTR2BSLC6A3
SCHEMBL28091452 0.76 SCN9A (0.35) CHRNA7ALDH1A1TACR1PRCPSCN9A
SCHEMBL25326855 0.74 PRCP (0.39) CHRNA7SLC6A2ADRA1AHTR2BSLC6A3
SCHEMBL166543 0.73 PRCP (0.38) TACR1PRCP
SCHEMBL27870772 0.72 SLC6A2 (0.38) CHRNA7SLC6A2ADRA1AHTR2BSLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1067683-C Substituted morpholine derivatives and their use as therapeutic agents MERK SHARP & DOHME LTD (GB) 2001-06-27 CN claimed
CN-1139927-A Substituted morpholine derivatives and their use as therapeutic agents MERK SHARP & DOHME LTD (GB) 1997-01-08 CN claimed
CN-1067683-C Substituted morpholine derivatives and their use as therapeutic agents MERK SHARP & DOHME LTD (GB) 2001-06-27 CN disclosed
CN-1139927-A Substituted morpholine derivatives and their use as therapeutic agents MERK SHARP & DOHME LTD (GB) 1997-01-08 CN disclosed