SCHEMBL8634340

SCHEMBL8634340

Nc1nc(N)c2c(n1)CCC(C(=O)c1cccc(C(F)(F)F)c1)C2

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.43
LMNA P02545 1/20 0.41
HSD11B1 P28845 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
MGLL Q99685 1/20 0.41
GAA P10253 1/20 0.39
RAB9A P51151 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
SCHEMBL8631214 0.83
SCHEMBL8630561 0.74 PNMT (0.41)
SCHEMBL8632991 0.74 SLC6A2 (0.46)
SCHEMBL377011 0.73 CES2 (0.62) CES2LMNAHSD11B1MGLLGAA
SCHEMBL8630922 0.72 IDO1 (0.45)
SCHEMBL8990303 0.71
SCHEMBL7418491 0.69 HSD11B1 (0.56) CES2LMNAHSD11B1MGLL
Hydrochloric Acid SCHEMBL11517089 0.68 HTR2C (0.56) CES2LMNAHSD11B1MGLL
SCHEMBL7456011 0.67 CES2 (0.53) CES2LMNAHSD11B1MGLL
SCHEMBL12832452 0.66 CES2 (0.56) CES2LMNAHSD11B1MGLL

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
US-5712281-A Insecticidal substituted-2,4-diamino-5,6,7,8-tetrahydroquinazolines FMC CORPORATION (US) 1998-01-27 US disclosed
US-5536725-A Insecticidal substituted-2,4-diamino-5,6,7,8-tetrahydroquinazolines FMC CORPORATION (US) 1996-07-16 US disclosed