SCHEMBL9558337

SCHEMBL9558337

NCCNC(=O)C1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.42
DRD2 P14416 9/20 0.42
DRD4 P21917 9/20 0.42
ALDH1A1 P00352 3/20 0.40
NAMPT P43490 1/20 0.40
GNAI3 P08754 1/20 0.40
GNAO1 P09471 1/20 0.40
GNAI1 P63096 1/20 0.40
KCNH2 Q12809 3/20 0.40
NAAA Q02083 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL22170893 0.86 GNAI3 (0.49) HTR1ADRD2DRD4NAMPTGNAI3
SCHEMBL4679423 0.86
SCHEMBL47355 0.84 SMN1; SMN2 (0.41) HTR1ADRD2DRD4ALDH1A1NAMPT
SCHEMBL4679015 0.82 NAAA (0.50) ALDH1A1GNAI3GNAO1GNAI1NAAA
SCHEMBL4678443 0.82 NAAA (0.55) ALDH1A1NAMPTGNAI3GNAO1GNAI1
SCHEMBL6361465 0.81 NAAA (0.50) HTR1ADRD2DRD4ALDH1A1GNAI3
SCHEMBL23419143 0.80 NAAA (0.58) NAAAKMT2ATSHR
SCHEMBL61158 0.80 NAAA (0.58) NAAAKMT2ATSHR
SCHEMBL10499072 0.79 HTR1A (0.44) HTR1ADRD2DRD4ALDH1A1GNAI3
SCHEMBL9795164 0.78 KMT2A (0.42) GNAI3GNAO1GNAI1NAAAPOLB

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-5242943-A Administering as beta adrenoceptor blocking agents Louis, William J. (AU) 1993-09-07 US disclosed
US-5051445-A Cardiovascular disorders such as antiarrhythmia or cardiotonic agents, adrenergic blocking agents Louis, William J. (AU) 1991-09-24 US disclosed
EP-0177515-B1 3-AMINOPROPYLOXYPHENYL DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Louis, William John (AU) 1989-05-31 EP disclosed
EP-0177515-A4 3-AMINOPROPYLOXYPHENYL DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. SANDOZ LTD (CH) 1986-09-23 EP disclosed
EP-0177515-A1 3-AMINOPROPYLOXYPHENYL DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM. SANDOZ LTD (CH) 1986-04-16 EP disclosed
WO-1985004403-A1 3-AMINOPROPYLOXYPHENYL DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANDOZ LTD. (CH) 1985-10-10 WO disclosed