SCHEMBL6934857

SCHEMBL6934857

[NH]CCCc1cccc(F)c1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.59
SLC6A3 Q01959 2/20 0.54
DRD2 P14416 1/20 0.54
SLC6A4 P31645 1/20 0.54
IDO1 P14902 2/20 0.47
AGXT P21549 2/20 0.47
DAO P14920 1/20 0.44

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
SCHEMBL2997171 0.87 TAAR1 (0.63) TAAR1SLC6A3DRD2SLC6A4IDO1
SCHEMBL3371633 0.82 TAAR1 (0.74) TAAR1SLC6A3DRD2SLC6A4IDO1
SCHEMBL16038467 0.81 TAAR1 (0.67) TAAR1SLC6A3DRD2SLC6A4IDO1
SCHEMBL79429 0.79 TAAR1 (0.59) TAAR1SLC6A3DRD2SLC6A4IDO1
SCHEMBL8727622 0.79 TAAR1 (0.59) TAAR1SLC6A3DRD2SLC6A4IDO1
SCHEMBL1317595 0.79 TAAR1 (0.77) TAAR1SLC6A3DRD2SLC6A4IDO1
SCHEMBL1047725 0.79 TAAR1 (0.59) TAAR1SLC6A3DRD2SLC6A4IDO1
SCHEMBL900638 0.79 TAAR1 (0.59) TAAR1SLC6A3DRD2SLC6A4IDO1
SCHEMBL17117518 0.79 TAAR1 (0.59) TAAR1SLC6A3DRD2SLC6A4IDO1
SCHEMBL81108 0.79 TAAR1 (0.59) TAAR1SLC6A3DRD2SLC6A4IDO1

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
US-6649604-B2 Analgesics; antidiabetic agents; antiinflamamtory agents AMGEN INC. 2003-11-18 US disclosed
EP-1314732-A2 Substituted pyrimidine compounds and their use AMGEN INC. (US) 2003-05-28 EP disclosed
EP-1314731-A2 Substituted pyrimidine compounds and their use AMGEN INC. (US) 2003-05-28 EP disclosed