SCHEMBL6015641

SCHEMBL6015641

O=C(CCCOc1ccc2[c]c[nH]c2c1)N1CCN(CCO)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 12/20 0.46
PDE3A Q14432 12/20 0.46
HRH2 P25021 3/20 0.43
HRH1 P35367 3/20 0.43
HTR1A P08908 1/20 0.43
HTR1D P28221 1/20 0.43
HTR1B P28222 1/20 0.43
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 2/20 0.41
KMT2A Q03164 2/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL6015704 0.85 PDE3B (0.51) PDE3BPDE3ARAB9ANPC1GAA
SCHEMBL7645552 0.83 DRD2 (0.57) PDE3BPDE3AHTR1AHTR1DHTR1B
SCHEMBL6015753 0.79 PDE3B (0.58) PDE3BPDE3ARAB9ANPC1MAPT
SCHEMBL6015694 0.76 ALDH1A1 (0.49) PDE3BPDE3AMAPTHPGDTSHR
SCHEMBL6015805 0.75 LTA4H (0.56) SMN1; SMN2ALDH1A1
SCHEMBL6015874 0.74 MAOA (0.41) PDE3BPDE3AGAASMN1; SMN2ALDH1A1
SCHEMBL6015872 0.74 LTA4H (0.55) KMT2A
SCHEMBL6016063 0.74 LTA4H (0.55) KMT2A
SCHEMBL6015910 0.73 PDE3B (0.49) PDE3BPDE3AMAPTKMT2AALDH1A1
SCHEMBL6016018 0.72 KDM4E (0.55) RAB9ANPC1KMT2ATSHRMEN1

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 6 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
EP-1181282-A2 BENZOTHIAZINONE AND BENZOXAZINONE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2002-02-27 EP disclosed
WO-2000075139-A2 BENZOTHIAZINONE AND BENZOXAZINONE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2000-12-14 WO disclosed