SCHEMBL5351192

SCHEMBL5351192

CC(C)C1(C(=O)NCc2cccc(-c3ccccc3)c2)CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.50
ERAP2 Q6P179 1/20 0.50
ERAP1 Q9NZ08 1/20 0.50
LNPEP Q9UIQ6 1/20 0.50
ERCC1 P07992 1/20 0.46
ERCC4 Q92889 1/20 0.46
CCR2 P41597 3/20 0.46
PTGES O14684 1/20 0.45
PSMB1 P20618 1/20 0.45
PSMB5 P28074 1/20 0.45
PSMB2 P49721 1/20 0.45
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
PADI1 Q9ULC6 1/20 0.43
PADI3 Q9ULW8 1/20 0.43
LIPG Q9Y5X9 1/20 0.43
KCNB1 Q14721 1/20 0.43
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 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
SCHEMBL14491527 0.80 ERCC1 (0.71) AOC3ERCC1ERCC4PADI1PADI3
SCHEMBL5363722 0.80 AOC3 (0.49) AOC3ERAP2ERAP1LNPEPERCC1
SCHEMBL13066398 0.76 KMT2A (0.56) CCR2
SCHEMBL18638228 0.74 ERAP2 (0.67) AOC3ERAP2ERAP1LNPEPERCC1
SCHEMBL7106098 0.74 OPRK1 (0.53) ERCC1ERCC4CCR2
SCHEMBL14365887 0.73 AOC3 (0.63) AOC3ERAP2ERAP1LNPEPPSMB1
SCHEMBL6418674 0.72 AOC3 (0.67) AOC3ERAP2ERAP1LNPEPPADI1
SCHEMBL18602713 0.72 ERAP2 (0.64) AOC3ERAP2ERAP1LNPEPERCC1
SCHEMBL5357017 0.72 MTNR1A (0.54)
SCHEMBL6231852 0.71 AOC3 (0.57) AOC3ERAP2ERAP1LNPEPPTGES

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7202253-B2 Cycloalkyl inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-10 US disclosed
US-7202253-B2 Cycloalkyl inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-10 US disclosed
US-7202253-B2 Cycloalkyl inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-10 US disclosed