SCHEMBL7211801

SCHEMBL7211801

Cc1ccccc1C[C@H](N)C[NH]

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.45
DPP4 P27487 4/20 0.43
DPP7 Q9UHL4 1/20 0.43
DPP8 Q6V1X1 3/20 0.38
DPP9 Q86TI2 3/20 0.38
FAP Q12884 2/20 0.38
SCN4A P35499 2/20 0.38
HTR2A P28223 1/20 0.38
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 1/20 0.36
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
EPHX1 P07099 1/20 0.35
ANPEP P15144 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
SCHEMBL23420598 0.86 HTR2A (0.50) TAAR1DPP4DPP7DPP8DPP9
SCHEMBL4708624 0.82 TAAR1 (0.52) TAAR1DPP4DPP7DPP8DPP9
SCHEMBL7211808 0.82 TAAR1 (0.52) TAAR1DPP4DPP7DPP8DPP9
SCHEMBL5324683 0.80 TAAR1 (0.45) TAAR1DPP4DPP7DPP8DPP9
SCHEMBL3935731 0.80 DPP4 (0.47) TAAR1DPP4DPP7DPP8DPP9
SCHEMBL7997555 0.80 DPP4 (0.47) TAAR1DPP4DPP7DPP8DPP9
SCHEMBL3129897 0.78 TAAR1 (0.44) TAAR1DPP4DPP7DPP8DPP9
SCHEMBL19143458 0.78 DPP4 (0.49) TAAR1DPP4DPP7DPP8DPP9
Ortetamine SCHEMBL209899 0.77 TAAR1 (0.52) TAAR1HTR2ASLC6A2SLC6A4SLC6A3
Ortetamine SCHEMBL42180 0.77 TAAR1 (0.52) TAAR1HTR2ASLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1314731-A2 Substituted pyrimidine compounds and their use AMGEN INC. (US) 2003-05-28 EP disclosed
EP-1314732-A2 Substituted pyrimidine compounds and their use AMGEN INC. (US) 2003-05-28 EP disclosed