SCHEMBL14679113

SCHEMBL14679113

Cc1ccc(C(=O)NCCCCN2CCCC2)cc1

nearest known ligand 0.79

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.79
TMEM97 Q5BJF2 1/20 0.65
LMNA P02545 2/20 0.60
ALDH1A1 P00352 2/20 0.60
MAPT P10636 2/20 0.60
GAA P10253 1/20 0.60
MAPK1 P28482 1/20 0.60
HTT P42858 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
DRD2 P14416 1/20 0.59
DRD3 P35462 1/20 0.59
CYP1A2 P05177 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
POLB P06746 1/20 0.58
RECQL P46063 1/20 0.57
L3MBTL3 Q96JM7 1/20 0.56

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
SCHEMBL13211890 0.99 NPSR1 (0.77) NPSR1TMEM97LMNAALDH1A1MAPT
SCHEMBL10194869 0.96 NPSR1 (0.81) NPSR1TMEM97LMNAALDH1A1MAPT
SCHEMBL13211930 0.94 NPSR1 (0.79) NPSR1TMEM97LMNAALDH1A1MAPT
SCHEMBL10720828 0.93 NPSR1 (0.68) NPSR1TMEM97LMNAALDH1A1MAPT
SCHEMBL10723752 0.90 LMNA (0.74) NPSR1TMEM97LMNAALDH1A1MAPT
SCHEMBL279945 0.90 NPSR1 (0.97) NPSR1ALDH1A1L3MBTL1CYP1A2CYP2D6
SCHEMBL10195008 0.88 NPSR1 (0.94) NPSR1ALDH1A1SMN1; SMN2L3MBTL1CYP1A2
SCHEMBL7392982 0.88 TMEM97 (0.61) NPSR1TMEM97LMNAALDH1A1MAPT
SCHEMBL178534 0.86 KMT2A (0.71) NPSR1TMEM97LMNAALDH1A1MAPT
SCHEMBL14006003 0.84 TSHR (0.70) NPSR1LMNAALDH1A1MAPTGAA

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-8367668-B2 Pyridazinone derivatives MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2013-02-05 US disclosed
US-8367668-B2 Pyridazinone derivatives MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 2013-02-05 US disclosed