SCHEMBL7302004

SCHEMBL7302004

O=C(c1cccc(C(F)(F)F)c1)N1c2cc(Cl)ccc2OCC1CCNCC1Cc2ccccc2C1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.55
NR3C2 P08235 12/20 0.44
NR3C1 P04150 6/20 0.44
MGLL Q99685 1/20 0.40
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ITGAL P20701 1/20 0.37
CCR2 P41597 1/20 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
Fumaric Acid SCHEMBL9229142 0.96 LMNA (0.51) LMNANR3C2NR3C1MGLLALDH1A1
SCHEMBL7299793 0.88 LMNA (0.59) LMNANR3C2NR3C1ALDH1A1NPSR1
SCHEMBL9079122 0.87 LMNA (0.50) LMNANR3C2NR3C1MGLLCCR2
SCHEMBL7301998 0.84 LMNA (0.53) LMNANR3C2NR3C1MGLLALDH1A1
SCHEMBL7298261 0.84 LMNA (0.58) LMNANR3C2NR3C1MGLL
SCHEMBL7300845 0.84 LMNA (0.58) LMNANR3C2NR3C1MGLL
SCHEMBL8544144 0.82 LMNA (0.53) LMNANR3C2NR3C1MGLLNPSR1
SCHEMBL7305405 0.78 LMNA (0.51) LMNANR3C2NR3C1ALDH1A1NPSR1
SCHEMBL7304686 0.76 LMNA (0.48) LMNANR3C2NR3C1MGLLALDH1A1
SCHEMBL7299161 0.76 LMNA (0.71) LMNANR3C2NR3C1ALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0666260-B1 3-(2-aminoethyl)-4-3-(trifluoromethyl)benzoyl-3,4-dihydro-2H-1,4-benzoxazine derivatives, their preparation and use in therapy SYNTHELABO (FR) 1999-08-04 EP disclosed
US-5550125-A BRAIN DISORDERS SYNTHELABO (FR) 1996-08-27 US disclosed
EP-0666260-A1 3-(2-aminoethyl)-4-3-(trifluoromethyl)benzoyl-3,4-dihydro-2H-1,4-benzoxazine derivatives, their preparation and use in therapy SYNTHELABO (FR) 1995-08-09 EP disclosed