SCHEMBL7718668

SCHEMBL7718668

O=C(O)CC(CN1CCCCC1)C(=O)c1ccccc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.45
OPRM1 P35372 1/20 0.42
ALDH1A1 P00352 2/20 0.40
MITF O75030 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
GFER P55789 1/20 0.40
PAX8 Q06710 1/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTR2B P41595 1/20 0.40
MAPK14 Q16539 1/20 0.40
KDM4E B2RXH2 2/20 0.40
SLC6A1 P30531 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ABCB1 P08183 1/20 0.39
CHRNB2 P17787 1/20 0.39

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
SCHEMBL7717232 0.80 LMNA (0.48) ALDH1A1MITFHTTRAB9AGFER
SCHEMBL6862148 0.79 ALDH1A1 (0.58) ALDH1A1MITFHTTRAB9AGFER
SCHEMBL7718149 0.79 LMNA (0.46) ALDH1A1MITFHTTRAB9AGFER
SCHEMBL7718666 0.78 SLC6A4 (0.49) OPRK1ALDH1A1MITFHTTRAB9A
SCHEMBL7718161 0.77 ALDH1A1 (0.60) ALDH1A1MITFHTTRAB9AGFER
SCHEMBL7718661 0.76 LMNA (0.53) OPRK1ALDH1A1MITFHTTRAB9A
SCHEMBL7718210 0.76 KMT2A (0.50) ALDH1A1MITFHTTRAB9AGFER
SCHEMBL7719730 0.72 GSK3B (0.43) OPRK1ALDH1A1MITFHTTRAB9A
SCHEMBL7718155 0.72 ALDH1A1 (0.54) ALDH1A1MITFHTTRAB9AGFER
SCHEMBL12123644 0.71 ALDH1A1 (0.57) ALDH1A1GFERCYP2C9MEN1KMT2A

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
US-6384063-B1 Compound having effect of promoting neuron differentiation NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2002-05-07 US disclosed
EP-0999204-A1 NOVEL COMPOUND HAVING EFFECT OF PROMOTING NEURON DIFFERENTIATION Nippon Kayaku Kabushiki Kaisha (JP) 2000-05-10 EP disclosed