SCHEMBL6002967

SCHEMBL6002967

CCC(C)Oc1ccccc1-c1c[nH][c]n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.38
ADRA2A P08913 5/20 0.34
ADRA2B P18089 5/20 0.34
ADRA2C P18825 5/20 0.34
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 1/20 0.33
GABRA6 Q16445 1/20 0.33
GABRG1 Q8N1C3 1/20 0.33
GABRG3 Q99928 1/20 0.33
GABRQ Q9UN88 1/20 0.33

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
SCHEMBL4049259 0.80 DRD1 (0.41) ADRA2AADRA2BADRA2CKMT2AMETAP2
SCHEMBL6002253 0.74 MAPT (0.36)
SCHEMBL6001640 0.74 METAP2 (0.33) METAP2
SCHEMBL11669563 0.72 BRD4 (0.40) LMNAKMT2A
SCHEMBL31490284 0.71 MCHR1 (0.51) MCHR1ADRA2AADRA2BADRA2CGABRP
SCHEMBL28161557 0.71 ADRA2A (0.48) MCHR1ADRA2AADRA2BADRA2CMEN1
SCHEMBL20829096 0.69 ADRA2A (0.48) MCHR1ADRA2AADRA2BADRA2CMEN1
SCHEMBL6003169 0.68 MGAM (0.42) METAP2
SCHEMBL4045966 0.65 IDO1 (0.46) MEN1KMT2ANISCH
SCHEMBL28161664 0.65 MCHR1 (0.41) MCHR1ADRA2AADRA2BADRA2CMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO disclosed