SCHEMBL493354

SCHEMBL493354

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.42
KCNH2 Q12809 1/20 0.42
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 1/20 0.38
HTT P42858 1/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PKM P14618 1/20 0.37
KDM4E B2RXH2 1/20 0.37
KMT2A Q03164 1/20 0.37
MCHR1 Q99705 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL494598 0.93 LMNA (0.44) MAPTLMNATAS1R3TAS1R1TSHR
SCHEMBL493677 0.88 KMT2A (0.49) MAPTKDM4EKMT2A
SCHEMBL493674 0.87 TDP1 (0.38) CCR2MAPTTSHRTDP1HTT
SCHEMBL492980 0.86 KDM4E (0.45) MAPTLMNATSHRTDP1HTT
SCHEMBL493591 0.85 SMN1; SMN2 (0.47) CCR2KCNH2MAPTLMNASMN1; SMN2
SCHEMBL493800 0.84 GHSR (0.38) CCR2MAPTTSHRTDP1HTT
SCHEMBL493060 0.83 FAAH (0.44) CCR2KCNH2TSHRHTTSMN1; SMN2
SCHEMBL493502 0.82 KMT2A (0.40) CCR2MAPTLMNATSHRSMN1; SMN2
SCHEMBL493221 0.82 SMN1; SMN2 (0.56) MAPTLMNATSHRHTTSMN1; SMN2
SCHEMBL493049 0.82 KMT2A (0.38) CCR2MAPTSMN1; SMN2KDM4EKMT2A

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