SCHEMBL6472027

SCHEMBL6472027

BrCCOc1cccc2[nH]c3ccccc3c12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 9/20 0.58
DNM1 Q05193 2/20 0.50
TLR4 O00206 4/20 0.49
DRD2 P14416 3/20 0.49
MAPT P10636 2/20 0.49
ADRB1 P08588 2/20 0.49
ADRB3 P13945 2/20 0.49
KDM4E B2RXH2 1/20 0.49
SLC22A2 O15244 1/20 0.49
SLC22A1 O15245 1/20 0.49
MLNR O43193 1/20 0.49
NR1I2 O75469 1/20 0.49
KCNK2 O95069 1/20 0.49
ABCB11 O95342 1/20 0.49
APP P05067 1/20 0.49
ABCB1 P08183 1/20 0.49
HTR1A P08908 1/20 0.49
ADRA2A P08913 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
GAA P10253 1/20 0.49

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
SCHEMBL30692087 0.91 ADRB2 (0.59) ADRB2DNM1TLR4DRD2MAPT
SCHEMBL6470931 0.87 ADRB2 (0.53) ADRB2DNM1TLR4DRD2MAPT
SCHEMBL6925186 0.84 ADRB2 (0.58) ADRB2DNM1TLR4DRD2MAPT
SCHEMBL30493558 0.84 ADRB2 (0.58) ADRB2DNM1TLR4DRD2MAPT
SCHEMBL14046114 0.84 ADRB2 (0.61) ADRB2DNM1TLR4DRD2MAPT
SCHEMBL4627007 0.83 ADRB2 (0.60) ADRB2DNM1TLR4DRD2MAPT
SCHEMBL6009074 0.80 ADRB2 (0.57) ADRB2DNM1TLR4DRD2MAPT
SCHEMBL4052917 0.78 ADRB2 (0.67) ADRB2DNM1TLR4DRD2MAPT
SCHEMBL1731764 0.78 ADRB2 (0.55) ADRB2DNM1TLR4DRD2MAPT
SCHEMBL6562854 0.78 TLR4 (0.58) ADRB2DNM1TLR4DRD2MAPT

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-1554262-A1 NOVEL TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Glenmark Pharmaceuticals Limited (IN) 2005-07-20 EP disclosed
WO-2004037805-A1 NOVEL TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS LTD. (US) 2004-05-06 WO disclosed
WO-2001017993-A1 ALKYLPIPERIDI NYLBENZO [D] ISOXAZOLE DERIVATIVES HAVING PSYCHOTROPIC ACTIVITY, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND A PROCESS FOR THE PREPARATION OF THE ACTIVE INGREDIENT EGIS Gyógyszergyár Rt. (HU) 2001-03-15 WO disclosed