SCHEMBL9974888

SCHEMBL9974888

OCC1CCCC[C@H]1NCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.60
KDM1A O60341 1/20 0.47
MAOA P21397 1/20 0.47
FUCA1 P04066 1/20 0.45
GRIN2B Q13224 2/20 0.44
SSTR3 P32745 3/20 0.42
HPGD P15428 2/20 0.42
RAB9A P51151 2/20 0.42
EPHX1 P07099 1/20 0.42
NPC1 O15118 1/20 0.42
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41
FYN P06241 1/20 0.41
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL11398300 1.00 LTA4H (0.60) LTA4HKDM1AMAOAFUCA1GRIN2B
SCHEMBL6081694 1.00 LTA4H (0.60) LTA4HKDM1AMAOAFUCA1GRIN2B
SCHEMBL11398297 1.00 LTA4H (0.60) LTA4HKDM1AMAOAFUCA1GRIN2B
SCHEMBL249580 1.00 LTA4H (0.60) LTA4HKDM1AMAOAFUCA1GRIN2B
SCHEMBL249581 1.00 LTA4H (0.60) LTA4HKDM1AMAOAFUCA1GRIN2B
SCHEMBL249579 1.00 LTA4H (0.60) LTA4HKDM1AMAOAFUCA1GRIN2B
SCHEMBL1846156 0.97 LTA4H (0.56) LTA4HKDM1AMAOAFUCA1GRIN2B
SCHEMBL7247232 0.85 ADRA2A (0.52) LTA4HKDM1AMAOAFUCA1GRIN2B
SCHEMBL7177046 0.85 ADRA2A (0.52) LTA4HKDM1AMAOAFUCA1GRIN2B
SCHEMBL7247234 0.85 ADRA2A (0.52) LTA4HKDM1AMAOAFUCA1GRIN2B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8202910-B2 Compositions and methods for treatment of infectious disease SEQUELLA, INC. (US) 2012-06-19 US disclosed
US-7842729-B2 Anti tubercular drug: compositions and methods THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2010-11-30 US disclosed
US-7456222-B2 Anti tubercular drug: compositions and methods SEQUELLA, INC. (US) 2008-11-25 US disclosed