SCHEMBL5743593

SCHEMBL5743593

O=C(O)Oc1ncccc1CCc1cccc(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.58
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 3/20 0.41
HPGD P15428 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
NR4A2 P43354 1/20 0.40
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
PPIA P62937 1/20 0.40
KDM4C Q9H3R0 1/20 0.40
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
HIF1A Q16665 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
SCHEMBL16058003 0.85 ABCB1 (0.47) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4452291 0.80 BACE1 (0.62) BACE1KMT2AMEN1SMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL4603331 0.79 BACE1 (0.60) BACE1KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL16057164 0.77 FFAR1 (0.44) KMT2AMEN1NPC1RAB9AFFAR1
SCHEMBL13962883 0.77 BACE1 (0.62) BACE1KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL16057405 0.77 PTGER1 (0.46) KMT2AMEN1SMN1; SMN2NPC1GAA
SCHEMBL16056930 0.77 BID (0.44) KMT2AMEN1SMN1; SMN2GAAALDH1A1
SCHEMBL16058002 0.76 ABCB1 (0.47) KMT2ASMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL13962869 0.76 BACE1 (0.60) BACE1KMT2AMEN1SMN1; SMN2NPC1
SCHEMBL4558113 0.76 BACE1 (0.64) BACE1KMT2AMEN1SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1442035-B1 PROCESS FOR THE PREPARATION OF 4- (8-CHLORO-5, 6-DIHYDRO-11H-BENZO-[5,6]-CYCLOHEPTA-[1,2-B]-PYRIDIN-11-YLIDENE)-1-PIPERIDINECARBOXYLIC ACID ETHYL ESTER (LORATADINE) ZAMBON SPA (IT) 2006-01-11 EP claimed