SCHEMBL7226537

SCHEMBL7226537

NC1CCCCN1CC(O)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.63
KDM4E B2RXH2 2/20 0.54
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
GAA P10253 1/20 0.45
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
HIF1A Q16665 1/20 0.44
SLC18A3 Q16572 2/20 0.44
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL7226539 1.00 LMNA (0.63) LMNAKDM4EMEN1KMT2AGAA
SCHEMBL7226534 1.00 LMNA (0.63) LMNAKDM4EMEN1KMT2AGAA
SCHEMBL10587075 0.81 LMNA (0.61) LMNAKDM4EMEN1KMT2AGAA
SCHEMBL28026427 0.78 CYP2D6 (0.50) LMNAOPRM1CYP2D6SIGMAR1
SCHEMBL28798434 0.77 SLC18A3 (0.56) LMNAKDM4EMEN1KMT2AGAA
SCHEMBL8013931 0.77 LMNA (0.86) LMNAKDM4EMEN1KMT2AGAA
SCHEMBL11548258 0.76 KDM4E (0.62) KDM4EMEN1KMT2ACYP2D6HIF1A
Hydrochloric Acid SCHEMBL8017732 0.76 LMNA (0.84) LMNAKDM4EMEN1KMT2AGAA
SCHEMBL10587085 0.74 LMNA (0.54) LMNAKDM4EMEN1KMT2AGAA
SCHEMBL1205842 0.73 GAA (0.71) KDM4EMEN1KMT2AGAAOPRM1

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-6642231-B2 Antineoplastic agents, treatment for neuronal injury and degeneration AVENTIS PHARMACEUTICALS INC. 2003-11-04 US disclosed