SCHEMBL4592741

SCHEMBL4592741

C[C@@H](N)c1ccc(F)cc1.C[C@@H](N)c1cccc(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.52
OPRM1 P35372 4/20 0.50
OPRD1 P41143 4/20 0.50
OPRK1 P41145 4/20 0.50
OPRL1 P41146 4/20 0.50
PNMT P11086 1/20 0.43
GBA1 P04062 1/20 0.43
CNR1 P21554 1/20 0.42
AOC3 Q16853 1/20 0.39
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
HTT P42858 1/20 0.38
GRIN2B Q13224 1/20 0.38
SLC6A9 P48067 1/20 0.38
SLC6A5 Q9Y345 1/20 0.38
MET P08581 1/20 0.38

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
SCHEMBL2032469 0.87 ADRB2 (0.54) ADRB2OPRM1OPRD1OPRK1OPRL1
SCHEMBL382596 0.87 ADRB2 (0.54) ADRB2OPRM1OPRD1OPRK1OPRL1
SCHEMBL13666761 0.87 ADRB2 (0.54) ADRB2OPRM1OPRD1OPRK1OPRL1
SCHEMBL30504213 0.87 ADRB2 (0.54) ADRB2OPRM1OPRD1OPRK1OPRL1
SCHEMBL148751 0.87 ADRB2 (0.54) ADRB2OPRM1OPRD1OPRK1OPRL1
Hydrochloric Acid SCHEMBL19205719 0.85 ADRB2 (0.52) ADRB2OPRM1OPRD1OPRK1OPRL1
Hydrochloric Acid SCHEMBL2149707 0.85 ADRB2 (0.52) ADRB2OPRM1OPRD1OPRK1OPRL1
Hydrochloric Acid SCHEMBL1002485 0.85 ADRB2 (0.52) ADRB2OPRM1OPRD1OPRK1OPRL1
SCHEMBL56723 0.79 ADRB2 (0.56) ADRB2AOC3HTT
SCHEMBL157927 0.79 ADRB2 (0.56) ADRB2AOC3HTT

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
EP-1919861-A2 COMPOUNDS FOR TREATING ALZHEIMER'S DISEASE Boehringer Ingelheim International GmbH (DE) 2008-05-14 EP disclosed
WO-2007017511-A2 COMPOUNDS FOR TREATING ALZHEIMER'S DISEASE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-15 WO disclosed