SCHEMBL8635146

SCHEMBL8635146

OCc1cccc2c1OC(F)(F)C2(F)F

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.37
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
OPRL1 P41146 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
PDCD1 Q15116 1/20 0.30
CD274 Q9NZQ7 1/20 0.30

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
SCHEMBL8633788 0.84
Bromide SCHEMBL8633449 0.73 SNCA (0.33)
SCHEMBL16043398 0.73 HTR2C (0.33) PDK2
SCHEMBL8633880 0.72 AHR (0.44) PDK2
SCHEMBL7651494 0.71 PDK2 (0.37) PDK2APOBEC3GPDCD1CD274
SCHEMBL8632446 0.70 SLC6A4 (0.31)
SCHEMBL7651499 0.69 MPO (0.41) PDK2APOBEC3G
SCHEMBL8634750 0.69
SCHEMBL3545157 0.62 AHR (0.31)
SCHEMBL10558358 0.62 ALOX5 (0.37) PDK2APOBEC3GPDCD1CD274

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