SCHEMBL9300436

SCHEMBL9300436

CC(C)(F)c1nc(N)nc(NCCCOc2cccc(F)c2)n1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.45
HTR7 P34969 6/20 0.43
ADRA1D P25100 2/20 0.43
ADRA1A P35348 2/20 0.43
ADRA1B P35368 2/20 0.43
DCPS Q96C86 1/20 0.42
ADORA2A P29274 1/20 0.37
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
F2 P00734 1/20 0.36
PPARG P37231 1/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL27511379 0.97 HTR7 (0.47) SCN9AHTR7ADRA1DADRA1AADRA1B
SCHEMBL7970120 0.85 HTR7 (0.47) SCN9AHTR7ADRA1DADRA1AADRA1B
SCHEMBL7969716 0.84 HTR7 (0.59) HTR7ADRA1DADRA1AADRA1BMAPT
SCHEMBL9066422 0.80 DCPS (0.39) HTR7ADRA1DADRA1AADRA1BDCPS
SCHEMBL7956908 0.78 HTR7 (0.42) HTR7ADRA1DADRA1AADRA1BFFAR1
SCHEMBL27605028 0.78 HTR7 (0.42) HTR7ADRA1DADRA1AADRA1BF2
SCHEMBL8217064 0.77 HTR7 (0.49) SCN9AHTR7ADRA1DADRA1AADRA1B
SCHEMBL27511380 0.75 HTR7 (0.50) SCN9AHTR7ADRA1DADRA1AADRA1B
SCHEMBL8256396 0.74 HTR7 (0.58) HTR7ADRA1DADRA1AADRA1BLMNA
SCHEMBL17203638 0.73 TSHR (0.45) LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5344810-A Synergistic triazine derivative mixture IDEMITSU KOSAN COMPANY LIMITED (JP) 1994-09-06 US disclosed