SCHEMBL6229028

SCHEMBL6229028

O=C(NCc1ccc(C(F)(F)F)cc1)Nc1cc(Cl)cc(Cl)c1O.O=C(Nc1cc(Cl)cc(Cl)c1)Nc1cc(Cl)cc(Cl)c1O

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTOR P42345 4/20 0.56
MAPT P10636 1/20 0.51
NAMPT P43490 1/20 0.50
TRPV1 Q8NER1 2/20 0.49
CHRNA7 P36544 1/20 0.47
CNR1 P21554 1/20 0.47
GRIK1 P39086 1/20 0.47
PRMT3 O60678 1/20 0.46
RAB9A P51151 1/20 0.46
HTT P42858 1/20 0.46
RORC P51449 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CCR3 P51677 1/20 0.45

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
SCHEMBL4350084 0.93 MTOR (0.56) MTORNAMPTTRPV1CHRNA7CNR1
SCHEMBL4353993 0.85 MTOR (0.67) MTORMAPTNAMPTTRPV1CNR1
SCHEMBL4349059 0.84 GRIK1 (0.63) MTORMAPTTRPV1CHRNA7CNR1
SCHEMBL4351477 0.80 MAPT (0.55) MAPTHTTMEN1KMT2A
SCHEMBL6229030 0.79 MTOR (0.43) MTORMAPTNAMPTCNR1HTT
SCHEMBL3671992 0.79 CHRNA7 (0.72) MAPTTRPV1CHRNA7MEN1KMT2A
SCHEMBL4348962 0.79 MTOR (0.50) MTORNAMPTTRPV1CHRNA7CNR1
SCHEMBL4345888 0.79 P2RY1 (0.56) MAPTTRPV1GRIK1RAB9AHTT
SCHEMBL4357690 0.78 CHRNA7 (0.64) MTORNAMPTTRPV1CHRNA7CNR1
SCHEMBL4357504 0.78 TRPV1 (0.61) MTORMAPTNAMPTTRPV1RAB9A

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
EP-1539683-A2 PHENOL DERIVATIVES AND THEIR USE AS ROTAMASE INHIBITORS Jerini AG (DE) 2005-06-15 EP claimed
WO-2004026815-A2 PHENOL DERIVATIVES AND THEIR USE AS ROTAMASE INHIBITORS JERINI AG (DE) 2004-04-01 WO claimed