SCHEMBL5036146

SCHEMBL5036146

O=C(ON(Cc1cccc(F)c1)C1CCNCC1)C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.51
SLC6A3 Q01959 3/20 0.51
SLC6A4 P31645 7/20 0.46
DCUN1D1 Q96GG9 1/20 0.44
TACR1 P25103 6/20 0.43
HTR6 P50406 1/20 0.39
RIPK1 Q13546 1/20 0.39

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
SCHEMBL5040928 0.86 TACR1 (0.51) SLC6A2SLC6A3SLC6A4DCUN1D1TACR1
SCHEMBL5040993 0.83 SLC6A4 (0.58) SLC6A2SLC6A3SLC6A4
SCHEMBL5037869 0.80 TACR1 (0.41) SLC6A2SLC6A3SLC6A4DCUN1D1TACR1
SCHEMBL5037787 0.79 SLC6A2 (0.49) SLC6A2SLC6A3SLC6A4
SCHEMBL5040988 0.78 HTR2C (0.47) SLC6A2SLC6A4DCUN1D1TACR1
SCHEMBL5033623 0.78 ALDH1A1 (0.46) SLC6A2SLC6A3SLC6A4DCUN1D1TACR1
SCHEMBL5042994 0.74 SLC6A2 (0.53) SLC6A2SLC6A3SLC6A4DCUN1D1TACR1
SCHEMBL13541689 0.73 SLC6A2 (0.64) SLC6A2SLC6A3SLC6A4HTR6
SCHEMBL5034052 0.73 SLC6A2 (0.43) SLC6A2SLC6A3SLC6A4
SCHEMBL5040950 0.71 SLC6A2 (0.36) SLC6A2SLC6A3SLC6A4

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-1622914-A4 NEW PIPERIDINYLAMINO-THIENO 2,3-D PYRIMIDINE COMPOUNDS EPIX DELAWARE INC (US) 2008-03-12 EP disclosed
EP-1622914-A2 NEW PIPERIDINYLAMINO-THIENO 2,3-D PYRIMIDINE COMPOUNDS Predix Pharmaceuticals Holdings, Inc. (US) 2006-02-08 EP disclosed
WO-2004089312-A2 NEW PIPERIDINYLAMINO-THIENO[2,3-D] PYRIMIDINE COMPOUNDS PREDIX PHARMACEUTICALS HOLDINGS, INC. (US) 2004-10-21 WO disclosed