SCHEMBL6977486

SCHEMBL6977486

CC(C)(CN)C1=NNC(c2ccccc2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.41
MAOB P27338 3/20 0.40
MAOA P21397 1/20 0.40
PTGS2 P35354 1/20 0.34
HTR2C P28335 7/20 0.34
HTR2B P41595 6/20 0.34
HTR2A P28223 4/20 0.34
TSHR P16473 1/20 0.34
RIPK1 Q13546 1/20 0.34
CA1 P00915 1/20 0.33
RECQL P46063 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.33
PRCP P42785 1/20 0.33
HSP90AA1 P07900 2/20 0.32
HSP90AB1 P08238 2/20 0.32

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
SCHEMBL15273122 0.74 MAOA (0.41) MAOBMAOAPTGS2CA1RECQL
SCHEMBL9037008 0.70 MAOA (0.44) MAOBMAOAPTGS2RIPK1CA1
SCHEMBL3334799 0.66 MEN1 (0.43) MAOBMAOAPTGS2CA1KDM4E
SCHEMBL6976621 0.65 LMNA (0.39) TAAR1MAOBMAOATSHRRIPK1
SCHEMBL6268223 0.65 MAOA (0.57) MAOBMAOAPTGS2CA1RECQL
SCHEMBL3484183 0.61 MAPT (0.59) MAOBMAOAPTGS2HTR2BCA1
SCHEMBL9072251 0.61 SMN1; SMN2 (0.46) TSHRKDM4EGAAMAPTLMNA
SCHEMBL323323 0.60 TAAR1 (1.00) TAAR1MAPTKMT2A
SCHEMBL9135091 0.59 MAOA (0.61) MAOBMAOACA1KDM4EMEN1
SCHEMBL19319878 0.59 CA1 (0.78) MAOBMAOACA1KDM4EMEN1

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
WO-2011088181-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 WO disclosed