SCHEMBL9825404

SCHEMBL9825404

O=C(O)C1CCCN(CCC2COc3ccccc3O2)C1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 7/20 0.61
HTT P42858 1/20 0.53
HTR1A P08908 1/20 0.52
SLC6A1 P30531 4/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
TSHR P16473 1/20 0.51
NFKB1 P19838 1/20 0.51
CYP2C19 P33261 1/20 0.51
HSD17B10 Q99714 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51

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
SCHEMBL15988294 0.88 LTA4H (0.64) LTA4HHTR1A
SCHEMBL9692476 0.85 ALDH1A1 (0.58) HTR1ATSHRALDH1A1LMNA
Hydrochloric Acid SCHEMBL9690403 0.84 ALDH1A1 (0.57) HTR1ATSHRALDH1A1LMNA
SCHEMBL18898277 0.83 LTA4H (0.74) LTA4HHTR1AALDH1A1
SCHEMBL566421 0.78 LTA4H (0.64) LTA4HHTR1A
SCHEMBL9825132 0.78 HTT (0.48) HTTHTR1A
SCHEMBL9825129 0.78 HTT (0.48) HTTHTR1A
SCHEMBL9692523 0.78 HTT (0.48) HTTHTR1A
SCHEMBL9826195 0.78 HTT (0.48) HTTHTR1A
SCHEMBL9826185 0.78 HTT (0.48) HTTHTR1A

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-0252005-B1 HYDROGENATED 1-BENZOOXACYCLOALKYL-PYRIDINE CARBOXYLIC-ACID COMPOUNDS CIBA-GEIGY AG (CH) 1991-07-10 EP claimed