SCHEMBL11114098

SCHEMBL11114098

O=C(NCCCN1CCCC1)Oc1ccc(CC2CCCCC2)cn1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.50
CCR3 P51677 5/20 0.48
LTA4H P09960 1/20 0.46
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ACHE P22303 3/20 0.43
FPR3 P25089 1/20 0.42
FPR2 P25090 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
SMAD3 P84022 1/20 0.41

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
SCHEMBL11113046 1.00 HRH3 (0.50) HRH3CCR3LTA4HTP53CYP1A2
SCHEMBL11118198 0.96 HRH3 (0.46) HRH3CCR3TP53CYP1A2CYP3A4
SCHEMBL11118618 0.86 DRD3 (0.53)
SCHEMBL11115212 0.85 DRD3 (0.61)
SCHEMBL11114775 0.84 DRD3 (0.51)
Hydrochloric Acid SCHEMBL11114697 0.84 DRD3 (0.60)
SCHEMBL11112280 0.82 ACACB (0.41)
SCHEMBL11118776 0.82 HRH3 (0.47) HRH3CYP2D6ACHESMAD3
SCHEMBL11118107 0.82 DRD3 (0.64)
SCHEMBL11118840 0.79 DRD2 (0.47)

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
EP-0123700-A1 Substituted picolinic acids, processes for their preparation, their use, and pharmaceutical preparations containing them Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1984-11-07 EP disclosed