SCHEMBL7141074

SCHEMBL7141074

Cn1c(=O)c2c(ncn2CCOc2ccc(Cc3ccccc3)cc2)n(C)c1=O

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 5/20 0.73
ALDH1A1 P00352 1/20 0.67
ADORA2B P29275 5/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
TSHR P16473 1/20 0.64
TP53 P04637 1/20 0.55
PDE3A Q14432 2/20 0.54
LMNA P02545 2/20 0.54
LTA4H P09960 2/20 0.54
MAPK1 P28482 1/20 0.54
CNOT7 Q9UIV1 1/20 0.54
MAPT P10636 1/20 0.53

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
SCHEMBL28547018 0.83 RXFP1 (0.74) RXFP1ALDH1A1ADORA2BSMN1; SMN2PDE3A
SCHEMBL17786242 0.80 ALDH1A1 (1.00) RXFP1ALDH1A1ADORA2BSMN1; SMN2TSHR
SCHEMBL10966452 0.79 RXFP1 (0.64) RXFP1ALDH1A1ADORA2BSMN1; SMN2TSHR
SCHEMBL1944405 0.79 ADORA2B (1.00) RXFP1ALDH1A1ADORA2BSMN1; SMN2TSHR
SCHEMBL28538511 0.78 RXFP1 (0.67) RXFP1ALDH1A1ADORA2BSMN1; SMN2PDE3A
SCHEMBL30810227 0.78 RXFP1 (0.67) RXFP1ALDH1A1ADORA2BSMN1; SMN2PDE3A
SCHEMBL20030199 0.78 ALDH1A1 (0.60) RXFP1ALDH1A1ADORA2BSMN1; SMN2TSHR
SCHEMBL7608305 0.77 POLB (0.75) RXFP1ALDH1A1ADORA2BSMN1; SMN2TSHR
SCHEMBL30810226 0.76 ADORA2B (0.61) RXFP1ALDH1A1ADORA2BSMN1; SMN2TSHR
SCHEMBL11380422 0.76 ADORA2B (0.70) RXFP1ALDH1A1ADORA2BSMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6506876-B1 LTA4 hydrolase inhibitor pharmaceutical compositions and methods of use G.D. SEARLE & CO. 2003-01-14 US disclosed
EP-0804427-B1 LTA4 HYDROLASE INHIBITORS SEARLE & CO (US) 2002-09-18 EP disclosed
EP-1221441-A2 LTA4 Hydrolase inhibitors G.D. SEARLE & CO. (US) 2002-07-10 EP disclosed
US-5723492-A LTA4 hydrolase inhibitor pharmaceutical compositions and methods of use G.D. SEARLE & CO. (US) 1998-03-03 US disclosed
US-5719306-A ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed
EP-0804427-A1 LTA4 HYDROLASE INHIBITORS G.D. SEARLE & CO. (US) 1997-11-05 EP disclosed
EP-0786992-A2 LTA 4? HYDROLASE INHIBITOR PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE G.D. SEARLE & CO. (US) 1997-08-06 EP disclosed
US-5585492-A USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES WHICH ARE MEDIATED BY LTB4 PRODUCTION, SUCH AS PSORIASIS, ULCERATIVE COLITIS, IRRITABLE BOWEL DISEASE AND ASTHMA G. D. SEARLE & CO. (US) 1996-12-17 US disclosed
WO-1996010999-A2 LTA4 HYDROLASE INHIBITOR PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE G.D. SEARLE & CO. (US) 1996-04-18 WO disclosed
WO-1996011192-A1 LTA4 HYDROLASE INHIBITORS G.D. SEARLE & CO. (US) 1996-04-18 WO disclosed