SCHEMBL11484182

SCHEMBL11484182

O=C(C=Cc1ccccc1)NCCN1CCCC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.63
HSP90AA1 P07900 1/20 0.62
DRD2 P14416 4/20 0.61
DRD3 P35462 4/20 0.61
POLB P06746 2/20 0.58
MMP1 P03956 1/20 0.58
MMP2 P08253 1/20 0.58
MMP9 P14780 1/20 0.58
RECQL P46063 1/20 0.58
SMN1; SMN2 Q16637 3/20 0.56
BCHE P06276 1/20 0.56
ACHE P22303 1/20 0.56
OPRL1 P41146 1/20 0.56
RAB9A P51151 2/20 0.55
EGFR P00533 1/20 0.55
MEN1 O00255 1/20 0.55
NPC1 O15118 1/20 0.54
LMNA P02545 1/20 0.54
HPGD P15428 1/20 0.54
CYP3A4 P08684 1/20 0.54

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
SCHEMBL14266681 0.89 DRD2 (0.61) KMT2ADRD2DRD3POLBMMP1
SCHEMBL7214216 0.85 MEN1 (0.57) KMT2AHSP90AA1POLBBCHEACHE
SCHEMBL14256483 0.84 DRD3 (0.65) KMT2ADRD2DRD3POLBMMP1
SCHEMBL7220931 0.84 KMT2A (0.59) KMT2AHSP90AA1POLBBCHEACHE
SCHEMBL9661477 0.83 DRD2 (0.85) KMT2ADRD2DRD3SMN1; SMN2LMNA
SCHEMBL9661474 0.83 DRD2 (0.85) KMT2ADRD2DRD3SMN1; SMN2LMNA
SCHEMBL15854247 0.81 CYP3A4 (0.59) KMT2ADRD2DRD3POLBSMN1; SMN2
SCHEMBL17219836 0.81 CYP3A4 (0.59) KMT2ADRD2DRD3POLBSMN1; SMN2
SCHEMBL11590847 0.81 KMT2A (0.86) KMT2APOLBMMP1MMP2MMP9
SCHEMBL15854249 0.80 CYP3A4 (0.58) KMT2ADRD2DRD3POLBSMN1; SMN2

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
US-4192883-A ANTITUSSIVES PIERRE FABRE, S.A. (FR) 1980-03-11 US disclosed
US-4122199-A Amides of pyrrolidinoethylamine which can be used in treatment of coughs PIERRE FABRE S.A. (FR) 1978-10-24 US disclosed