SCHEMBL8632991

SCHEMBL8632991

Nc1nc(N)c2c(n1)CCC(Oc1cccc(C(F)(F)F)c1)C2

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
TP53 P04637 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
SCHEMBL8637680 0.82
SCHEMBL8630922 0.82 IDO1 (0.45)
SCHEMBL8634340 0.74 CES2 (0.43)
SCHEMBL8630561 0.74 PNMT (0.41)
SCHEMBL20858622 0.72 SLC6A2 (0.69) SLC6A2SLC6A4SLC6A3TP53
SCHEMBL8633064 0.70 SLC6A2 (0.59) SLC6A2SLC6A4SLC6A3TP53
SCHEMBL8636206 0.70 TACR1 (0.37) SLC6A2SLC6A4SLC6A3
SCHEMBL24168852 0.69 SLC6A2 (0.66) SLC6A2SLC6A4SLC6A3TP53
SCHEMBL16571060 0.69 SLC6A2 (0.61) SLC6A2SLC6A4SLC6A3TP53
SCHEMBL3118322 0.69 SLC6A2 (0.61) SLC6A2SLC6A4SLC6A3TP53

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