SCHEMBL7767898

SCHEMBL7767898

S=c1ccn(CCN2CCCCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.41
SIGMAR1 Q99720 2/20 0.41
ACHE P22303 2/20 0.41
TERT O14746 2/20 0.41
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
SLC6A3 Q01959 1/20 0.38
MPO P05164 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
MBTD1 Q05BQ5 1/20 0.37
L3MBTL3 Q96JM7 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
PSMB1 P20618 1/20 0.36
PSMB5 P28074 1/20 0.36
PSMB2 P49721 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
SCHEMBL7769654 0.82 ATM (0.46) HRH3SIGMAR1ACHECYP1A2CYP3A4
SCHEMBL26462643 0.76 HRH3 (0.46) HRH3SIGMAR1TERTCYP1A2CYP3A4
SCHEMBL7772370 0.74 KDM1A (0.48) HRH3SIGMAR1CYP1A2
SCHEMBL985444 0.71 L3MBTL1 (0.40) HRH3SIGMAR1ACHESLC6A3L3MBTL1
SCHEMBL23828671 0.69 HRH3 (0.69) HRH3SIGMAR1TERTCYP1A2KMT2A
SCHEMBL12826 0.69 HRH3 (0.69) HRH3SIGMAR1TERTCYP1A2KMT2A
SCHEMBL134912 0.69 HRH3 (0.69) HRH3SIGMAR1TERTCYP1A2KMT2A
SCHEMBL5466977 0.69 HRH3 (0.69) HRH3SIGMAR1TERTCYP1A2KMT2A
SCHEMBL4786815 0.69 HRH3 (0.69) HRH3SIGMAR1TERTCYP1A2KMT2A
SCHEMBL1379121 0.67 L3MBTL1 (0.43) HRH3CYP1A2KMT2AL3MBTL1PSMB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0700916-B1 CEPHEM COMPOUND, PROCESS FOR PRODUCING THE SAME, AND ANTIBACTERIAL CONTAINING THE COMPOUND OTSUKA KAGAKU KK (JP) 2001-06-20 EP disclosed
US-5698544-A ANTIBOIOTIC AGAINST METHICILLIN RESISTANCE STAPHYLOCOCCUS AUREUS OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1997-12-16 US disclosed
EP-0700916-A1 CEPHEM COMPOUND, PROCESS FOR PRODUCING THE SAME, AND ANTIBACTERIAL CONTAINING THE COMPOUND OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1996-03-13 EP disclosed