SCHEMBL9079122

SCHEMBL9079122

O=C(c1cccc(C(F)(F)F)c1)N1c2cc(Cl)ccc2OCC1CCNCC1CCCc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
NR3C2 P08235 8/20 0.40
NR3C1 P04150 5/20 0.40
MGLL Q99685 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
CCR2 P41597 3/20 0.35
DHODH Q02127 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
SCHEMBL7302004 0.87 LMNA (0.55) LMNANR3C2NR3C1MGLLCCR2
SCHEMBL7304686 0.83 LMNA (0.48) LMNANR3C2NR3C1MGLLSMN1; SMN2
Fumaric Acid SCHEMBL9229142 0.83 LMNA (0.51) LMNANR3C2NR3C1MGLL
SCHEMBL7298261 0.81 LMNA (0.58) LMNANR3C2NR3C1MGLLSMN1; SMN2
SCHEMBL8544144 0.79 LMNA (0.53) LMNANR3C2NR3C1MGLLSMN1; SMN2
SCHEMBL7300845 0.79 LMNA (0.58) LMNANR3C2NR3C1MGLLSMN1; SMN2
SCHEMBL7301998 0.76 LMNA (0.53) LMNANR3C2NR3C1MGLL
SCHEMBL7299793 0.76 LMNA (0.59) LMNANR3C2NR3C1
SCHEMBL7305217 0.72 LMNA (0.72) LMNANR3C2NR3C1
SCHEMBL7299169 0.71 LMNA (0.58) LMNANR3C2NR3C1SMN1; SMN2

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-5550125-A BRAIN DISORDERS SYNTHELABO (FR) 1996-08-27 US disclosed