SCHEMBL7956908

SCHEMBL7956908

Cc1cc(C)cc(OCCNc2nc(N)nc(C(C)(C)F)n2)c1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.42
ADRA1D P25100 2/20 0.42
ADRA1A P35348 2/20 0.42
ADRA1B P35368 2/20 0.42
FFAR1 O14842 10/20 0.37
FFAR4 Q5NUL3 8/20 0.37
F2 P00734 2/20 0.36

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
SCHEMBL7970120 0.88 HTR7 (0.47) HTR7ADRA1DADRA1AADRA1B
SCHEMBL27605028 0.88 HTR7 (0.42) HTR7ADRA1DADRA1AADRA1BF2
SCHEMBL7969716 0.84 HTR7 (0.59) HTR7ADRA1DADRA1AADRA1B
SCHEMBL8217064 0.82 HTR7 (0.49) HTR7ADRA1DADRA1AADRA1B
SCHEMBL27511379 0.81 HTR7 (0.47) HTR7ADRA1DADRA1AADRA1BFFAR1
SCHEMBL29352185 0.80 HTR7 (0.33) HTR7ADRA1DADRA1AADRA1B
SCHEMBL22188696 0.80 HTR7 (0.33) HTR7ADRA1DADRA1AADRA1B
SCHEMBL117903 0.80 HTR7 (0.33) HTR7ADRA1DADRA1AADRA1B
SCHEMBL9300436 0.78 SCN9A (0.45) HTR7ADRA1DADRA1AADRA1BFFAR1
Bromomethane SCHEMBL3305907 0.78 HTR7 (0.32) HTR7ADRA1DADRA1AADRA1B

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000078737-A2 ARYLOXY ETHYLAMINO TRIAZINES AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2000-12-28 WO claimed
CN-1238663-A Selective herbicides based on arylsulphonylaminocarbonyltriazolinones BAYER AG (DE) 1999-12-15 CN claimed
WO-2000078737-A3 ARYLOXY ETHYLAMINO TRIAZINES AS HERBICIDES BAYER AG (DE) 2001-04-26 WO disclosed
WO-2000078737-A2 ARYLOXY ETHYLAMINO TRIAZINES AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2000-12-28 WO disclosed
WO-2000078737-A2 ARYLOXY ETHYLAMINO TRIAZINES AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2000-12-28 WO disclosed