SCHEMBL11076863

SCHEMBL11076863

NCCC(N)c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.44
TAAR1 Q96RJ0 1/20 0.44
IDO1 P14902 2/20 0.43
TDO2 P48775 2/20 0.43
LOXL2 Q9Y4K0 1/20 0.42
DPP8 Q6V1X1 1/20 0.40
GABBR2 O75899 1/20 0.40
GABBR1 Q9UBS5 1/20 0.40
HRH1 P35367 1/20 0.39
MAOB P27338 2/20 0.39
AOC3 Q16853 2/20 0.38
MAOA P21397 1/20 0.36

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
SCHEMBL5502468 0.83 GABBR2 (0.46) DPP4TAAR1IDO1TDO2LOXL2
SCHEMBL18466458 0.83 GABBR2 (0.46) DPP4TAAR1IDO1TDO2LOXL2
SCHEMBL3406829 0.82 SLC2A1 (0.42) DPP4IDO1TDO2LOXL2DPP8
SCHEMBL27387510 0.82 IDO1 (0.40) DPP4IDO1TDO2LOXL2DPP8
SCHEMBL1762072 0.82 SLC2A1 (0.42) DPP4IDO1TDO2LOXL2DPP8
SCHEMBL3338459 0.82 IDO1 (0.40) DPP4IDO1TDO2LOXL2DPP8
SCHEMBL971562 0.82 IDO1 (0.40) DPP4IDO1TDO2LOXL2DPP8
SCHEMBL971560 0.82 IDO1 (0.40) DPP4IDO1TDO2LOXL2DPP8
SCHEMBL27718785 0.82 DPP4 (0.42) DPP4TAAR1IDO1TDO2LOXL2
SCHEMBL4618800 0.81 HRH1 (0.62) TAAR1IDO1TDO2LOXL2GABBR2

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
EP-0024776-B1 4-PHENYL AND 5-PHENYL-1,4,5,6-TETRAHYDROPYRIMIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING SAID DERIVATIVES, AND PROCESS FOR PREPARING SAID DERIVATIVES SYNTEX (U.S.A.) INC. (US) 1984-12-27 EP disclosed
US-4322421-A 4-Phenyl-and 5-phenyl-1,4,5,6-tetrahydro-pyrimidine derivatives SYNTEX (U.S.A.) INC. (US) 1982-03-30 US disclosed
US-4261995-A DISORDERS OF CENTRAL NERVOUS SYSTEM AND CARDIOVASCULAR SYSTEM; HYPOTENSIVE SYNTEX (U.S.A.) INC. (US) 1981-04-14 US disclosed
EP-0024776-A1 4-Phenyl and 5-phenyl-1,4,5,6-tetrahydropyrimidine derivatives, pharmaceutical compositions containing said derivatives, and process for preparing said derivatives SYNTEX (U.S.A.) INC. (US) 1981-03-11 EP disclosed