SCHEMBL7270113

SCHEMBL7270113

CC(C)(C)NC(=O)C1Cc2ccccc2CN1CCC(=O)N1Cc2ccccc2CC1C(=O)NC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C19 P33261 1/20 0.56
PREP P48147 2/20 0.46
HDAC8 Q9BY41 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SPR P35270 1/20 0.41
CXCR3 P49682 2/20 0.41
OPRM1 P35372 1/20 0.41
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
HTR1A P08908 5/20 0.40
HTR7 P34969 5/20 0.40
PTPN1 P18031 1/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40

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
SCHEMBL7270109 0.81 CYP2C19 (0.54) POLBCYP3A4CYP2C19HDAC8TDP1
SCHEMBL18711805 0.80 POLB (0.65) POLBCYP3A4CYP2C19PREPHDAC8
SCHEMBL9596147 0.80 POLB (0.65) POLBCYP3A4CYP2C19HDAC8TDP1
SCHEMBL8538945 0.79 CYP2C19 (0.52) POLBCYP3A4CYP2C19HDAC8TDP1
SCHEMBL14183936 0.77 HDAC8 (0.62) POLBCYP3A4CYP2C19HDAC8PTPN1
SCHEMBL18711811 0.77 POLB (0.61) POLBCYP3A4CYP2C19HDAC8TDP1
SCHEMBL7270808 0.77 CYP2C19 (0.50) POLBCYP3A4CYP2C19HDAC8
SCHEMBL9595767 0.75 POLB (0.48) POLBCYP3A4CYP2C19HDAC8FNTA
SCHEMBL9572243 0.74 NPSR1 (0.64) POLBCYP3A4CYP2C19HDAC8LMNA
SCHEMBL9572242 0.74 NPSR1 (0.64) POLBCYP3A4CYP2C19HDAC8LMNA

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-0402646-A1 Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1990-12-19 EP disclosed