SCHEMBL15827761

SCHEMBL15827761

CN1CCN(c2c(F)cc(N3C[C@H](CNC(=O)C(F)F)OC3=O)cc2F)CCN1C(=O)Cc1c[nH]nn1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 7/20 0.39
▸ MAOB P27338 5/20 0.38
▸ PTGS1 P23219 2/20 0.38
▸ SDHA P31040 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CALML3 P27482 1/20 0.38
▸ F10 P00742 6/20 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
SCHEMBL10151887 0.87 F10 (0.38) MAOAMAOBPTGS1SDHALMNA
SCHEMBL10152515 0.87 MAOB (0.40) MAOAMAOBPTGS1SDHALMNA
SCHEMBL10152134 0.85 F10 (0.45) MAOAMAOBPTGS1SDHALMNA
SCHEMBL10151949 0.81 F10 (0.39) MAOAMAOBPTGS1SDHALMNA
SCHEMBL10152636 0.81 MAOA (0.40) MAOAMAOBPTGS1SDHALMNA
SCHEMBL10151910 0.80 F10 (0.36) MAOAMAOBPTGS1SDHALMNA
SCHEMBL10152530 0.80 MAOA (0.38) MAOAMAOBPTGS1SDHALMNA
SCHEMBL10152512 0.79 MAOA (0.50) MAOAMAOBPTGS1SDHALMNA
SCHEMBL10151888 0.79 MAOA (0.46) MAOAMAOBPTGS1SDHALMNA
SCHEMBL10152025 0.78 MAOA (0.45) MAOAMAOBPTGS1SDHALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2009012-B1 NOVEL COMPOUND HAVING HETEROCYCLIC RING RES FOUND ITSUU LAB (JP) 2014-06-25 — — EP disclosed
Send feedback