SCHEMBL7601760

SCHEMBL7601760

O=C(NCCCI)C(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.60
CNR2 P34972 3/20 0.60
HTT P42858 3/20 0.50
LMNA P02545 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
POLB P06746 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 3/20 0.42
ADRA1D P25100 2/20 0.41
ADRA1A P35348 2/20 0.41
ADRA1B P35368 2/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
PAX8 Q06710 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL7597614 0.85 CNR1 (0.62) CNR1CNR2HTTLMNAL3MBTL1
SCHEMBL10690539 0.78 CNR1 (0.62) CNR1CNR2HTTLMNAL3MBTL1
SCHEMBL2783540 0.77 CNR1 (0.54) CNR1CNR2HTTLMNAL3MBTL1
SCHEMBL24671951 0.75 HTT (0.60) CNR1CNR2HTTLMNAL3MBTL1
SCHEMBL2784116 0.75 CNR1 (0.51) CNR1CNR2HTTLMNAL3MBTL1
SCHEMBL10692697 0.73 CNR1 (0.56) CNR1CNR2HTTLMNAL3MBTL1
Hydrochloric Acid SCHEMBL9494741 0.72 CNR1 (0.58) CNR1CNR2HTTLMNAL3MBTL1
SCHEMBL24990588 0.72 NPC1 (0.66) LMNAPOLBSMN1; SMN2NPC1HPGD
SCHEMBL10693365 0.71 CNR1 (0.54) CNR1CNR2HTTLMNAL3MBTL1
SCHEMBL9472769 0.71 CNR1 (0.54) CNR1CNR2HTTLMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0891344-B1 ALPHA-1 ADRENERGIC RECEPTOR ANTAGONISTS SOD CONSEILS RECH APPLIC (FR) 2002-12-18 EP disclosed
US-6300499-B1 α1-adrenergic receptor antagonists SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2001-10-09 US disclosed
EP-0891344-A1 ALPHA 1-ADRENERGIC RECEPTOR ANTAGONISTS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1999-01-20 EP disclosed
WO-1997037983-A1 α1-ADRENERGIC RECEPTOR ANTAGONISTS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1997-10-16 WO disclosed