SCHEMBL7758091

SCHEMBL7758091

C=CCNC(=NCCCCC)NC#N

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 6/20 0.41
FAAH O00519 1/20 0.41
ALDH1A1 P00352 2/20 0.40
SIGMAR1 Q99720 2/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HRH2 P25021 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
NAMPT P43490 1/20 0.32
HRH1 P35367 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL7753802 0.81 HRH4 (0.45) HRH4SIGMAR1HRH2HRH1HRH3
SCHEMBL7753798 0.81 HRH4 (0.45) HRH4SIGMAR1HRH2HRH1HRH3
SCHEMBL10578435 0.77 ALDH1A1 (0.54) ALDH1A1MEN1KMT2ACYP2D6CYP2C9
SCHEMBL7758085 0.76 ALDH1A1 (0.46) HRH4ALDH1A1MEN1KMT2ACYP2D6
SCHEMBL7758081 0.76 ALDH1A1 (0.46) HRH4ALDH1A1MEN1KMT2ACYP2D6
SCHEMBL11527427 0.72 HRH4 (0.40) HRH4SIGMAR1HRH2HRH1HRH3
SCHEMBL9262672 0.69 ALDH1A1 (0.53) HRH4ALDH1A1SIGMAR1MEN1KMT2A
SCHEMBL9262667 0.69 ALDH1A1 (0.53) HRH4ALDH1A1SIGMAR1MEN1KMT2A
SCHEMBL11527425 0.69 GRIN2D (0.39) HRH4SIGMAR1HRH2
SCHEMBL11527422 0.69 GRIN2D (0.39) HRH4SIGMAR1HRH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1077933-A1 SUBSTITUTED GUANIDINES AND DIAMINONITROETHENES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2001-02-28 EP disclosed
US-6147098-A USEFUL IN THE TREATMENT OF DISEASES OF THE CENTRAL NERVOUS SYSTEM, CARDIOVASCULAR SYSTEM, PULMONARY SYSTEM, GASTROINTESTINAL SYSTEM AND ENDOCRINOLOGIC SYSTEM NOVO NORDISK A/S (DK) 2000-11-14 US disclosed
WO-1999058497-A1 SUBSTITUTED GUANIDINES AND DIAMINONITROETHENES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1999-11-18 WO disclosed