SCHEMBL8431121

SCHEMBL8431121

NCCCNC1=NCCCN1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 3/20 0.59
APOBEC3A P31941 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
HTR1A P08908 13/20 0.45
HTR1D P28221 13/20 0.45
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
WDR5 P61964 1/20 0.39
ITGB3 P05106 1/20 0.36
ITGAV P06756 1/20 0.36

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
Hydrochloric Acid SCHEMBL7478765 0.98 CXCR4 (0.58) CXCR4APOBEC3AAPOBEC3GHTR1AHTR1D
SCHEMBL8585904 0.95 CXCR4 (0.62) CXCR4APOBEC3AAPOBEC3GHTR1AHTR1D
SCHEMBL6440029 0.93 CXCR4 (0.66) CXCR4APOBEC3AAPOBEC3GHTR1AHTR1D
SCHEMBL17887695 0.90 CXCR4 (0.61) CXCR4APOBEC3AAPOBEC3GHTR1AHTR1D
SCHEMBL6301909 0.89 CXCR4 (0.75) CXCR4APOBEC3AAPOBEC3GHTR1AHTR1D
Hydrochloric Acid SCHEMBL7541441 0.87 CXCR4 (0.72) CXCR4APOBEC3AAPOBEC3GHTR1AHTR1D
SCHEMBL2493767 0.82 CXCR4 (0.59) CXCR4APOBEC3AAPOBEC3GHTR1AHTR1D
SCHEMBL12343968 0.81 CXCR4 (0.62) CXCR4APOBEC3AAPOBEC3GHTR1AHTR1D
SCHEMBL20016343 0.79 CXCR4 (0.51) CXCR4APOBEC3AAPOBEC3GHTR1AHTR1D
SCHEMBL12341235 0.78 CXCR4 (0.54) CXCR4APOBEC3AAPOBEC3GHTR1AHTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0719138-B1 IONTOPHORETIC DELIVERY OF AN ANTIMIGRAINE DRUG JANSSEN PHARMACEUTICA NV (BE) 1999-02-10 EP claimed
EP-0639192-B1 (BENZODIOXAN, BENZOFURAN OR BENZOPYRAN)-ALKYLAMINO] ALKYL SUBSTITUTED GUANIDINES AS SELECTIVE VASCOCONSTRICTORS JANSSEN PHARMACEUTICA NV (BE) 1996-05-15 EP claimed
US-6005094-A MIXTURE OF AN ACID RESISTANT, ANTISENSE OLIGONUCLEOTIDE AND A CARRIER; FOR ORAL ADMINISTRATION GENTA INCORPORATED (US) 1999-12-21 US disclosed
EP-0824342-B1 PREPARATION OF FORMULATIONS FOR ELECTROTRANSPORT DRUG DELIVERY ALZA CORP (US) 1999-11-24 EP disclosed
US-5801179-A TREATMENT OF MIGRAINES, HYPOTENSION, VENOUS INSUFFICIENCY JANSSEN PHARMACEUTICA, NV (BE) 1998-09-01 US disclosed
EP-0690716-A4 OLIGONUCLEOTIDES MODIFIED TO IMPROVE STABILITY AT ACID pH UNIV JOHNS HOPKINS (US) 1997-05-02 EP disclosed
EP-0690716-A1 OLIGONUCLEOTIDES MODIFIED TO IMPROVE STABILITY AT ACID pH THE JOHNS HOPKINS UNIVERSITY (US) 1996-01-10 EP disclosed
WO-1994015619-A1 OLIGONUCLEOTIDES MODIFIED TO IMPROVE STABILITY AT ACID pH THE JOHNS HOPKINS UNIVERSITY (US) 1994-07-21 WO disclosed