SCHEMBL3144331

SCHEMBL3144331

CC1CN(c2nc(Cc3ccccc3)ns2)CCN1C(=O)c1ccccc1F

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 11/20 0.48
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPK14 Q16539 1/20 0.40
CHRM4 P08173 2/20 0.39
PARP1 P09874 1/20 0.39
SMO Q99835 1/20 0.38
HTT P42858 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 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
SCHEMBL2010104 0.94 NAAA (0.46) NAAAMAPTPARP1SMOHTT
SCHEMBL2009491 0.93 NAAA (0.46) NAAACHRM4PARP1SMO
SCHEMBL2007402 0.89 CPS1 (0.46) NAAA
SCHEMBL2002581 0.86 SMO (0.51) NAAAMAPTCYP2C9CYP2C19SMO
SCHEMBL2014337 0.86 NAAA (0.50) NAAASMO
SCHEMBL2010642 0.85 NAAA (0.49) NAAASMO
SCHEMBL2008063 0.85 NAAA (0.49) NAAASMO
SCHEMBL2004262 0.85 SMO (0.53) NAAASMO
SCHEMBL2012545 0.84 NAAA (0.49) NAAAMAPTSMO
SCHEMBL2002553 0.84 NAAA (0.48) NAAAMAPTSMOHTT

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
EP-1981504-B1 THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURO DEGENERATIVE DISEASES REMYND NV (BE) 2010-07-21 EP claimed