SCHEMBL8907133

SCHEMBL8907133

[CH2][C@@]1(Cc2ccccc2)C=CC=CC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.38
MAOB P27338 7/20 0.38
KDM1A O60341 4/20 0.33
HSD11B1 P28845 1/20 0.32
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRK1 P41145 1/20 0.30
OPRL1 P41146 1/20 0.30
CALM1 P0DP23 1/20 0.30

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
SCHEMBL17414858 0.74 MAOA (0.47) MAOAMAOBKDM1AHSD11B1LMNA
SCHEMBL8155755 0.74 MAOA (0.38) MAOAMAOBKDM1AHSD11B1OPRM1
SCHEMBL9462490 0.74 MAOA (0.39) MAOAMAOBKDM1ALMNA
SCHEMBL7894379 0.73 MAOA (0.37) MAOAMAOBKDM1AHSD11B1LMNA
SCHEMBL9750269 0.73 MAOA (0.37) MAOAMAOBKDM1AHSD11B1OPRM1
Hydrochloric Acid SCHEMBL10383764 0.73 MAOA (0.38) MAOAMAOBKDM1ALMNA
SCHEMBL7110744 0.71 MAOA (0.40) MAOAMAOBKDM1AHSD11B1
SCHEMBL20377192 0.70 HSD11B1 (0.39) MAOAMAOBHSD11B1LMNAHTT
SCHEMBL6142862 0.70 TSHR (0.36) L3MBTL1OPRM1OPRK1OPRL1
SCHEMBL29700255 0.69 MAOA (0.34) MAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5607931-A AMIDES SCHERING CORPORATION (US) 1997-03-04 US disclosed
EP-0662965-A1 1,2-DISUBSTITUTED ETHYL AMIDES AS INHIBITORS OF ACAT SCHERING CORPORATION (US) 1995-07-19 EP disclosed
US-5326762-A Heterocyclic substituted amides SCHERING CORPORATION (US) 1994-07-05 US disclosed
US-5321031-A Treating cardiovascular disorders SCHERING CORPORATION (US) 1994-06-14 US disclosed
WO-1994006784-A1 1,2-DISUBSTITUTED ETHYL AMIDES AS INHIBITORS OF ACAT SCHERING CORPORATION (US) 1994-03-31 WO disclosed
US-5149709-A Treatment of atherosclerosis SCHERING CORPORATION (US) 1992-09-22 US disclosed