SCHEMBL8630561

SCHEMBL8630561

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

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.41
EPHX1 P07099 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
SCHEMBL8632053 0.83
SCHEMBL8636206 0.80 TACR1 (0.37)
SCHEMBL8634340 0.74 CES2 (0.43)
SCHEMBL8632991 0.74 SLC6A2 (0.46)
SCHEMBL4157268 0.73 PNMT (0.58) PNMTEPHX1
SCHEMBL8630922 0.72 IDO1 (0.45)
SCHEMBL29750658 0.68 HTR2C (0.54) PNMT
SCHEMBL27698385 0.68 PNMT (0.48) PNMTEPHX1
SCHEMBL8633793 0.65 SLC6A2 (0.47)
SCHEMBL27698323 0.65 EPHX1 (0.46) PNMTEPHX1

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