SCHEMBL7333293

SCHEMBL7333293

COCCCCCCCOc1ccc(-c2ccc(Br)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.47
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 3/20 0.45
NOS1 P29475 2/20 0.45
RECQL P46063 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
RARB P10826 3/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
HDAC3 O15379 4/20 0.44
HDAC4 P56524 4/20 0.44
HDAC1 Q13547 4/20 0.44
HDAC7 Q8WUI4 4/20 0.44
HDAC2 Q92769 4/20 0.44
HDAC10 Q969S8 4/20 0.44
HDAC11 Q96DB2 4/20 0.44

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
SCHEMBL7334037 1.00 DRD4 (0.47) DRD4DRD2DRD3ATML3MBTL1
SCHEMBL7339801 1.00 DRD4 (0.47) DRD4DRD2DRD3ATML3MBTL1
SCHEMBL7317588 1.00 DRD4 (0.47) DRD4DRD2DRD3ATML3MBTL1
SCHEMBL6133006 0.94 DRD4 (0.51) DRD4DRD2DRD3ATML3MBTL1
SCHEMBL6132842 0.94 DRD4 (0.51) DRD4DRD2DRD3ATML3MBTL1
SCHEMBL4598755 0.92 DRD4 (0.53) DRD4DRD2DRD3ATML3MBTL1
SCHEMBL20312081 0.90 CYP3A4 (0.52) L3MBTL1RARBCYP3A4CYP2D6HDAC3
SCHEMBL4598588 0.88 DRD4 (0.53) DRD4DRD2DRD3ATML3MBTL1
SCHEMBL20662545 0.87 KDM4E (0.49) DRD4DRD2DRD3ATML3MBTL1
SCHEMBL12972983 0.85 RARB (0.61) L3MBTL1KDM4ERARBALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0788511-B1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO (JP) 2002-12-11 EP disclosed
US-6265536-B1 MICROBIOCIDE AND FUNGICIDE WHICH IS INHIBITOR OF BETA-1,3-GLUCAN SYNTHASE; TREATMENT OF PNEUMOCYSTIS CARINII INFECTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-07-24 US disclosed
US-6107458-A FUNGICIDE WHICH IS BETA-1,3-GLYCAN SYNTHASE INHIBITOR; FOR PROPHYLAXIS AND TREATMENT OF PNEUMOCYSTIS CARINII INFECTIONS LIKE PNEUMONIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-08-22 US disclosed
EP-0788511-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-13 EP disclosed
WO-1996011210-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-18 WO disclosed