SCHEMBL9574147

SCHEMBL9574147

CC(C)(N)C#CCCOCCCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HRH3 Q9Y5N1 5/20 0.41
LMNA P02545 1/20 0.40
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
OPRM1 P35372 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL196951 0.75 IDO1 (0.67) IDO1MEN1KMT2AHRH3LMNA
SCHEMBL28130088 0.71 IDO1 (0.61) IDO1MEN1KMT2AHRH3LMNA
SCHEMBL10488184 0.71 TDP1 (0.47) IDO1MEN1KMT2AHRH3TDP1
SCHEMBL9763396 0.71 TDP1 (0.43) IDO1MEN1KMT2AHRH3TDP1
SCHEMBL28007115 0.71 IDO1 (0.52) IDO1MEN1KMT2AHRH3LMNA
SCHEMBL4613194 0.70 IDO1 (0.61) IDO1MEN1KMT2AHRH3LMNA
SCHEMBL7679168 0.70 TAAR1 (0.48) LMNASIGMAR1
SCHEMBL3438742 0.70 MAOA (0.65) IDO1MEN1KMT2AHRH3LMNA
SCHEMBL4871162 0.70 IDO1 (0.55) IDO1MEN1KMT2AHRH3LMNA
SCHEMBL3438768 0.70 HRH3 (0.57) IDO1MEN1KMT2AHRH3SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5243076-A Adrenergic stimulant intermediates GLAXO GROUP LTD. 1993-09-07 US disclosed
US-5225445-A Respiratory system disorders GLAXO GROUP LTD. 1993-07-06 US disclosed
US-5126375-A Asthma, chronic bronchitis GLAXO GROUP LTD. (GB) 1992-06-30 US disclosed
US-5091422-A Treating inflammatory or allergic skin disease, lowering gastric acidity GLAXO GROUP LIMITED (GB) 1992-02-25 US disclosed
US-4992474-A Adrenergic stimulants GLAXO GROUP LTD. (GB) 1991-02-12 US disclosed