SCHEMBL6015850

SCHEMBL6015850

CN(C)CCCNC(=O)Cn1[c]ccc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.44
P2RX4 Q99571 1/20 0.40
ALOX15 P16050 2/20 0.40
KDM4E B2RXH2 4/20 0.39
TSHR P16473 1/20 0.39
HPGD P15428 1/20 0.37
HTT P42858 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 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
SCHEMBL6015943 0.73 CYP2D6 (0.42) KDM4ETSHRALDH1A1CYP2C19
SCHEMBL24485546 0.71 DNM1 (0.63) DNM1P2RX4ALOX15KDM4ETSHR
SCHEMBL12260313 0.70 ALDH1A1 (0.50) DNM1ALDH1A1
SCHEMBL1557707 0.70 DNM1 (0.43) DNM1P2RX4ALOX15KDM4ETSHR
SCHEMBL1527147 0.69 DNM1 (0.72) DNM1ALOX15KDM4ETSHRHPGD
SCHEMBL7159679 0.68 MEN1 (0.67) DNM1ALOX15KDM4ETSHRHPGD
SCHEMBL8773743 0.68 DNM1 (0.76) DNM1ALOX15KDM4ETSHRHPGD
SCHEMBL20710636 0.68 DNM1 (0.59) DNM1P2RX4ALOX15KDM4ETSHR
SCHEMBL8082772 0.68 DNM1 (0.59) DNM1P2RX4ALOX15KDM4ETSHR
SCHEMBL23899001 0.68 DNM1 (0.82) DNM1KDM4ETSHRHPGDCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7049312-B1 Benzothiazinone and benzoxazinone compounds ABBOTT GMBH & CO. KG (DE) 2006-05-23 US claimed
EP-1181282-A2 BENZOTHIAZINONE AND BENZOXAZINONE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2002-02-27 EP claimed
WO-2000075139-A2 BENZOTHIAZINONE AND BENZOXAZINONE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2000-12-14 WO claimed
US-7049312-B1 Benzothiazinone and benzoxazinone compounds ABBOTT GMBH & CO. KG (DE) 2006-05-23 US disclosed