SCHEMBL6015704

SCHEMBL6015704

CN1CCCN(C(=O)CCCOc2ccc3[c]c[nH]c3c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 8/20 0.51
PDE3A Q14432 8/20 0.51
HPGD P15428 6/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP2D6 P10635 1/20 0.47
RAB9A P51151 4/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
P2RY12 Q9H244 2/20 0.44
PDE2A O00408 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
NPC1 O15118 2/20 0.44
MAPT P10636 2/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL6015641 0.85 PDE3B (0.46) PDE3BPDE3AHPGDKMT2AALDH1A1
SCHEMBL6015753 0.80 PDE3B (0.58) PDE3BPDE3AHPGDKMT2AALDH1A1
SCHEMBL6015910 0.77 PDE3B (0.49) PDE3BPDE3AKMT2AALDH1A1CYP1A2
SCHEMBL6015947 0.75 POLB (0.53) HPGDKMT2AMEN1TSHRPOLB
SCHEMBL6015805 0.72 LTA4H (0.56) ALDH1A1SMN1; SMN2
SCHEMBL6015812 0.72 HPGD (0.50) PDE3BPDE3AHPGDKMT2AALDH1A1
SCHEMBL6015872 0.71 LTA4H (0.55) KMT2APOLB
SCHEMBL6016063 0.71 LTA4H (0.55) KMT2APOLB
SCHEMBL3160508 0.71 RAB9A (0.59) PDE3BPDE3AHPGDKMT2AALDH1A1
SCHEMBL6015772 0.71 HPGD (0.51) PDE3BPDE3AHPGDKMT2AALDH1A1

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