SCHEMBL7301810

SCHEMBL7301810

O=C(Nc1ccc(Cl)cc1)c1ccc2c(c1)CCCC2

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.67
MEN1 O00255 3/20 0.67
RXFP1 Q9HBX9 1/20 0.67
RAB9A P51151 11/20 0.60
NPC1 O15118 10/20 0.60
SLC2A1 P11166 1/20 0.59
SMN1; SMN2 Q16637 7/20 0.58
MAPT P10636 2/20 0.58
NFKB1 P19838 5/20 0.57
NFKB2 Q00653 5/20 0.57
RELA Q04206 5/20 0.57
TP53 P04637 3/20 0.57
ALDH1A1 P00352 1/20 0.57
KDM4E B2RXH2 1/20 0.56
HTT P42858 2/20 0.56
GAA P10253 1/20 0.56
MAOB P27338 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
ADCY8 P40145 1/20 0.54
ADCY1 Q08828 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
SCHEMBL7296050 0.85 RAB9A (0.69) KMT2AMEN1RXFP1RAB9ANPC1
SCHEMBL7306324 0.85 NPC1 (0.78) KMT2AMEN1RXFP1RAB9ANPC1
SCHEMBL12523461 0.85 KMT2A (0.67) KMT2AMEN1RXFP1RAB9ANPC1
SCHEMBL3366233 0.84 NPC1 (0.72) KMT2AMEN1RXFP1RAB9ANPC1
SCHEMBL7300048 0.81 RAB9A (0.74) KMT2AMEN1RXFP1RAB9ANPC1
SCHEMBL23090417 0.80 DHODH (0.62) KMT2AMEN1RXFP1RAB9ANPC1
SCHEMBL17478369 0.80
SCHEMBL4117896 0.78 NPC1 (0.74) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL420923 0.78 SERPINE1 (0.61)
SCHEMBL10939703 0.78 NPC1 (0.76) KMT2AMEN1RAB9ANPC1SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0666250-B1 Derivatives of N-(3-aminopropyl)-N-phenyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide having neuroprotective and anti-ischemic properties, their preparation and their use, in therapy SYNTHELABO (FR) 1998-02-11 EP disclosed
US-5663183-A CEREBRAL DISORDERS SYNTHELABO (FR) 1997-09-02 US disclosed
US-5550162-A TREATMENT AND PREVENTION OF CEREBRAL DISORDERS SYNTHELABO (FR) 1996-08-27 US disclosed
EP-0666250-A1 Derivatives of N-(3-aminopropyl)-N-phenyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide having neuroprotective and anti-ischemic properties, their preparation and their use, in therapy SYNTHELABO (FR) 1995-08-09 EP disclosed