SCHEMBL8630922

SCHEMBL8630922

Nc1nc(N)c2c(n1)CCC(OCc1cccc(C(F)(F)F)c1)C2

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.45
DRD4 P21917 2/20 0.45
SIGMAR1 Q99720 2/20 0.45
CARM1 Q86X55 1/20 0.44
PRMT6 Q96LA8 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL8634850 0.83
SCHEMBL8632991 0.82 SLC6A2 (0.46)
SCHEMBL8636206 0.75 TACR1 (0.37)
SCHEMBL8634117 0.74 IDO1 (0.44) IDO1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8634113 0.74 IDO1 (0.44) IDO1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8636210 0.73 TACR1 (0.41) IDO1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8633784 0.72 CARM1 (0.57) IDO1DRD4SIGMAR1CARM1PRMT6
SCHEMBL8634340 0.72 CES2 (0.43)
SCHEMBL8630561 0.72 PNMT (0.41)
SCHEMBL30754913 0.71 CARM1 (0.62) IDO1DRD4SIGMAR1CARM1PRMT6

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