SCHEMBL21241822

SCHEMBL21241822

Cc1ccc2ccn(CCN(C)C)c(=O)c2c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.46
HTR2A P28223 3/20 0.46
HTR1D P28221 7/20 0.44
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HTR6 P50406 4/20 0.41
DRD3 P35462 1/20 0.39
TNF P01375 2/20 0.39

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
SCHEMBL3517454 0.82 TNF (0.43) HTR2CHTR2AHDAC3HDAC1HDAC6
SCHEMBL21241821 0.82 TNF (0.43) HTR2CHTR2AHDAC3HDAC1HDAC6
SCHEMBL22971727 0.82 HTR1D (0.44) HTR2CHTR2AHTR1DHDAC3HDAC1
SCHEMBL23729375 0.80 HTR2A (0.41) HTR2CHTR2AHDAC3HDAC1HDAC6
SCHEMBL20786925 0.75 HTR2C (0.44) HTR2CHTR2AHTR1DHDAC3HDAC1
SCHEMBL16939364 0.75 HTR2C (0.63) HTR2CHTR2AHTR1DHTR6
SCHEMBL18914238 0.74 HTR2C (0.49) HTR2CHTR2AHTR1DHTR6DRD3
SCHEMBL349421 0.74 CYP2A6 (0.42)
SCHEMBL31378640 0.74 CYP2A6 (0.42)
SCHEMBL13591316 0.73 POLB (0.51)

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-2019152437-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2019-08-08 WO disclosed