SCHEMBL7239796

SCHEMBL7239796

COc1ccc(CN2CCN(c3ncccc3C(=O)O)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.54
KMT2A Q03164 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
HSD17B10 Q99714 1/20 0.50
FAAH O00519 1/20 0.50
HRH3 Q9Y5N1 1/20 0.49
CFTR P13569 1/20 0.49
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
DRD3 P35462 1/20 0.48
HRH1 P35367 1/20 0.48
CCR3 P51677 1/20 0.48
KCNH2 Q12809 1/20 0.48
MAPT P10636 1/20 0.47
LSS P48449 1/20 0.47
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
PKM P14618 1/20 0.47

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
SCHEMBL7238619 0.96 L3MBTL1 (0.54) SIGMAR1KMT2AL3MBTL1HSD17B10FAAH
SCHEMBL7235600 0.88 ALDH1A1 (0.53) KMT2AFAAHALDH1A1
SCHEMBL7235295 0.87 MAPT (0.53) SIGMAR1KMT2AL3MBTL1CFTRDRD2
SCHEMBL7235226 0.87 HTR3E (0.61) SIGMAR1KMT2AHSD17B10DRD4MAPT
SCHEMBL2222971 0.86 MAPT (0.59) SIGMAR1KMT2AL3MBTL1HSD17B10FAAH
SCHEMBL7233655 0.84 L3MBTL1 (0.51) SIGMAR1KMT2AL3MBTL1HRH3CFTR
SCHEMBL2222713 0.84 MAPT (0.56) SIGMAR1KMT2AL3MBTL1HSD17B10CFTR
SCHEMBL7238934 0.83 L3MBTL1 (0.50) SIGMAR1KMT2AL3MBTL1HSD17B10FAAH
SCHEMBL2228942 0.82 MAPT (0.55) KMT2AL3MBTL1HSD17B10HRH3CFTR
SCHEMBL2223585 0.82 MAPT (0.55) KMT2AL3MBTL1HSD17B10HRH3CFTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6562827-B1 For the treatment of diseases in which increased calpain activity occurs such as neurodegenerative diseases or neuronal damage are caused by ischemia, trauma or mass hemorrhages ABBOTT LABORATORIES 2003-05-13 US disclosed