SCHEMBL14592001

SCHEMBL14592001

N=C(NCCCN1CCCCC1)NC1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.55
EPHX1 P07099 1/20 0.55
RAD52 P43351 1/20 0.48
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
SIGMAR1 Q99720 2/20 0.44
CCR3 P51677 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.41
QPCT Q16769 1/20 0.39
EPHX2 P34913 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
SCHEMBL15975480 0.81 EPHX1 (0.79) GAAEPHX1CCR3ALDH1A1EPHX2
SCHEMBL491868 0.81 EPHX1 (0.79) GAAEPHX1CCR3ALDH1A1EPHX2
SCHEMBL17525451 0.81 HRH3 (0.46) TP53TSHRSMN1; SMN2ALDH1A1
SCHEMBL491685 0.80 FPR3 (0.49) GAAEPHX1RAD52TP53CYP1A2
Hydrochloric Acid SCHEMBL6337391 0.79 RAD52 (0.49) GAAEPHX1RAD52TP53CYP1A2
Hydrochloric Acid SCHEMBL6347355 0.79 FPR3 (0.48) GAAEPHX1RAD52TP53CYP1A2
Hydrochloric Acid SCHEMBL6340260 0.79 SIGMAR1 (0.48) GAAEPHX1RAD52TP53CYP1A2
SCHEMBL2905190 0.77 ALDH1A1 (0.44) RAD52CYP1A2TSHRSIGMAR1SMN1; SMN2
Iodide SCHEMBL4010788 0.76 ALDH1A1 (0.43) RAD52CYP1A2TSHRSIGMAR1SMN1; SMN2
SCHEMBL1827421 0.76 EPHX1 (0.66) EPHX1SIGMAR1MEN1KMT2AALDH1A1

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-7169928-B2 central nervous system disorders; Alzheimer's disease; attention deficit disorders; cognition activators; psychological disorders; antidepressants SOCIETE CIVILE BIOPROJECT (FR) 2007-01-30 US disclosed
US-7169928-B2 central nervous system disorders; Alzheimer's disease; attention deficit disorders; cognition activators; psychological disorders; antidepressants SOCIETE CIVILE BIOPROJECT (FR) 2007-01-30 US disclosed