SCHEMBL7550775

SCHEMBL7550775

NC(=O)c1nn(CCN2CCOCC2)c2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.62
CNR1 P21554 4/20 0.62
PARP1 P09874 1/20 0.50
HTR7 P34969 2/20 0.48
HTT P42858 2/20 0.48
KCNH2 Q12809 1/20 0.46
HTR4 Q13639 1/20 0.46
ELANE P08246 1/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
PIK3CD O00329 1/20 0.43
PIK3R2 O00459 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 1/20 0.43
PIK3R5 Q8WYR1 1/20 0.43

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
SCHEMBL1601162 0.88 CNR2 (0.63) CNR2CNR1HTR7HTTKCNH2
SCHEMBL7550761 0.84 CNR2 (0.67) CNR2CNR1PARP1HTR7HTT
SCHEMBL7556631 0.83 CNR1 (0.64) CNR2CNR1KCNH2HTR4KMT2A
SCHEMBL7538551 0.82 CNR2 (0.47) CNR2CNR1PARP1HTR7HTT
SCHEMBL30860188 0.80 CNR1 (0.50) CNR2CNR1PARP1HTR7HTT
SCHEMBL10369871 0.80 CNR1 (0.50) CNR2CNR1PARP1HTR7HTT
SCHEMBL13691221 0.79 CNR1 (0.53) CNR2CNR1PARP1HTR4ELANE
SCHEMBL9323662 0.79 CNR1 (0.53) CNR2CNR1HTR7HTTKMT2A
SCHEMBL8875998 0.78 PARP1 (0.56) CNR2CNR1PARP1ELANEALDH1A1
SCHEMBL7556638 0.78 CNR2 (0.52) CNR2CNR1KDM4EALDH1A1POLB

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
EP-1254115-A2 CANNABINOID RECEPTOR MODULATORS, THEIR PROCESSES OF PREPARATION, AND USE OF CANNABINOID RECEPTOR MODULATORS FOR TREATING RESPIRATORY AND NON-RESPIRATORY DISEASES Bristol-Myers Squibb Company (US) 2002-11-06 EP disclosed
WO-2001058869-A2 CANNABINOID RECEPTOR MODULATORS, THEIR PROCESSES OF PREPARATION, AND USE OF CANNABINOID RECEPTOR MODULATORS IN TREATING RESPIRATORY AND NON-RESPIRATORY DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2001-08-16 WO disclosed