SCHEMBL8522960

SCHEMBL8522960

CCC(=O)NC1(N)CCc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.45
RAB9A P51151 3/20 0.43
NAMPT P43490 1/20 0.43
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
HDAC9 Q9UKV0 1/20 0.40
PDK2 Q15119 1/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
LMNA P02545 1/20 0.39
KDM1A O60341 1/20 0.39
NR4A1 P22736 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 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
SCHEMBL8457160 0.83 HDAC9 (0.43) MTNR1AMTNR1BHDAC9IDO1TDO2
SCHEMBL18088738 0.81 MTNR1A (0.41) POLBRAB9ANAMPTMTNR1AMTNR1B
SCHEMBL27880909 0.75 KDM1A (0.41) HDAC9KDM1A
SCHEMBL7452148 0.74 KDM4E (0.41) POLBHDAC9MAPTKDM1AMEN1
SCHEMBL10637900 0.73 KDM1A (0.46) HDAC9KDM1AMEN1KMT2A
SCHEMBL20137427 0.71 HDAC9 (0.40) POLBHDAC9MAPTLMNAMEN1
SCHEMBL20137426 0.71 HDAC9 (0.40) POLBHDAC9MAPTLMNAMEN1
SCHEMBL17963540 0.70 KDM1A (0.61) MTNR1AMTNR1BKDM1A
SCHEMBL5807645 0.70 KDM1A (0.40) KDM1AMEN1KMT2A
SCHEMBL18088743 0.70 MTNR1A (0.44) RAB9AMTNR1AMTNR1BHDAC9GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5880159-A TREATING ACUTE NEUROLOGICAL TRAUMATIC DISORDER OR NEUROTRAUMA TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1999-03-09 US disclosed
US-5639913-A TREATMENT OF PARKINSON'S DISEASE, DEMENTIA, EPILEPSY TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1997-06-17 US disclosed