SCHEMBL494598

SCHEMBL494598

CN(C)C(CCc1ccccc1)C1CCC(NC(=O)CCNC(=O)c2nc(-c3ccc4c(c3)OCO4)no2)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
SMYD3 Q9H7B4 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
ATM Q13315 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
HPGD P15428 2/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 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
SCHEMBL493354 0.93 CCR2 (0.42) LMNAMAPTTDP1NPC1RAB9A
SCHEMBL494117 0.89 HPGD (0.50) SMN1; SMN2TSHRHPGDKMT2A
SCHEMBL493611 0.87 SMYD3 (0.43) LMNAMAPTSMYD3NPC1RAB9A
SCHEMBL493063 0.83 SMN1; SMN2 (0.59) LMNAMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL493654 0.82 KMT2A (0.41) SMYD3TDP1NPC1RAB9ASMN1; SMN2
SCHEMBL493677 0.81 KMT2A (0.49) MAPTHPGDKMT2A
SCHEMBL493674 0.80 TDP1 (0.38) MAPTSMYD3TDP1NPC1RAB9A
SCHEMBL492980 0.79 KDM4E (0.45) LMNAMAPTTDP1NPC1SMN1; SMN2
SCHEMBL493591 0.79 SMN1; SMN2 (0.47) LMNAMAPTSMN1; SMN2KMT2A
SCHEMBL493800 0.77 GHSR (0.38) MAPTSMYD3TDP1NPC1RAB9A

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
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US claimed