SCHEMBL11565010

SCHEMBL11565010

C=CCc1ccccc1NCCCCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.41
KCNH3 Q9ULD8 1/20 0.39
POLB P06746 1/20 0.38
CNR2 P34972 4/20 0.38
CNR1 P21554 1/20 0.37
TLR8 Q9NR97 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
CHRM2 P08172 1/20 0.36
S1PR2 O95136 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
STAT1 P42224 1/20 0.35

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
SCHEMBL10407866 0.81 POLB (0.54) L3MBTL1KCNH3POLBCNR2CNR1
SCHEMBL29167457 0.80 L3MBTL1 (0.43) L3MBTL1KCNH3CNR2CNR1TLR8
SCHEMBL10408672 0.80 LIPG (0.49) ADRA2BADRA2CL3MBTL1KCNH3POLB
SCHEMBL10408718 0.80 POLB (0.53) L3MBTL1KCNH3POLBCNR2CNR1
SCHEMBL3248990 0.80 POLB (0.53) L3MBTL1KCNH3POLBCNR2CNR1
SCHEMBL10407954 0.80 POLB (0.53) L3MBTL1KCNH3POLBCNR2CNR1
SCHEMBL1724131 0.78 L3MBTL1 (0.51) L3MBTL1KCNH3CNR2CNR1TLR8
SCHEMBL6693838 0.78 HCAR3 (0.38) L3MBTL1KCNH3POLBCNR2CNR1
SCHEMBL10408667 0.78 LIPG (0.47) L3MBTL1KCNH3POLBCNR2CNR1
SCHEMBL4557996 0.78 LIPG (0.51) L3MBTL1KCNH3POLBCNR2SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4158063-A Acylamino(alkyl)benzene derivatives and process for preparing them HOECHST AKTIENGESELLSCHAFT (DE) 1979-06-12 US claimed
US-4158063-A Acylamino(alkyl)benzene derivatives and process for preparing them HOECHST AKTIENGESELLSCHAFT (DE) 1979-06-12 US disclosed
US-4158063-A Acylamino(alkyl)benzene derivatives and process for preparing them HOECHST AKTIENGESELLSCHAFT (DE) 1979-06-12 US disclosed
US-4158063-A Acylamino(alkyl)benzene derivatives and process for preparing them HOECHST AKTIENGESELLSCHAFT (DE) 1979-06-12 US disclosed