SCHEMBL7387110

SCHEMBL7387110

[CH]1CCN(CCCCOCc2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.57
TEAD3 Q99594 2/20 0.54
HRH3 Q9Y5N1 2/20 0.50
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
NPC1 O15118 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NPY1R P25929 1/20 0.48
BCHE P06276 1/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
GBA1 P04062 2/20 0.46
UGCG Q16739 2/20 0.46
GBA2 Q9HCG7 2/20 0.46
SIGMAR1 Q99720 4/20 0.46
CCR3 P51677 1/20 0.44

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
SCHEMBL7388987 0.98 LTA4H (0.56) LTA4HTEAD3HRH3KDM4EALDH1A1
SCHEMBL7389601 0.98 LTA4H (0.56) LTA4HTEAD3HRH3KDM4EALDH1A1
SCHEMBL7395255 0.95 TEAD3 (0.59) LTA4HTEAD3HRH3KDM4EALDH1A1
SCHEMBL7388780 0.92 LTA4H (0.67) LTA4HTEAD3HRH3KDM4EALDH1A1
SCHEMBL27540109 0.86 LTA4H (0.72) LTA4HTEAD3HRH3KDM4EALDH1A1
SCHEMBL7394897 0.85 HRH3 (0.58) HRH3MEN1KMT2ASIGMAR1CCR3
SCHEMBL27533341 0.84 LTA4H (0.70) LTA4HTEAD3HRH3KDM4EALDH1A1
SCHEMBL7389363 0.84 HRH3 (0.51) HRH3GBA1UGCGGBA2SIGMAR1
SCHEMBL7391532 0.82 GBA1 (0.54) LTA4HHRH3GBA1UGCGGBA2
SCHEMBL22440218 0.82 LTA4H (0.77) LTA4HTEAD3HRH3KDM4EALDH1A1

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-5864039-A THERAPEUTIC TREATMENT OF VARIOUS GASTROINTESTINAL DISEASES, CENTRAL NERVOUS DISORDERS, CARDIOVASCULAR DISORDERS, URINARY DISEASES, UROGENITAL DISORDERS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1999-01-26 US disclosed
EP-0873990-A1 BENZOIC ACID COMPOUNDS AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1998-10-28 EP disclosed