SCHEMBL7219009

SCHEMBL7219009

Cn1c(CCc2ccc(CN)cc2)nc2cc(N(Cc3cccc4ccccc34)C(=O)CN3CCC(Cc4ccccc4)CC3)ccc21

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.41
HDAC6 Q9UBN7 1/20 0.39
HDAC1 Q13547 2/20 0.39
NPFFR1 Q9GZQ6 1/20 0.38
NPFFR2 Q9Y5X5 1/20 0.38
OPRM1 P35372 5/20 0.38
HDAC8 Q9BY41 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ACHE P22303 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HTR1A P08908 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
MGLL Q99685 1/20 0.36

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
SCHEMBL7218777 0.93 F2 (0.51) F2HDAC6ACHE
SCHEMBL7217499 0.90 F2 (0.42) F2HDAC1HDAC8KDM4ENPC1
SCHEMBL7216788 0.87 KDM4E (0.39) F2HDAC1KDM4ENPC1RAB9A
SCHEMBL7223673 0.86 F2 (0.39) F2HDAC1HDAC8KDM4ENPC1
SCHEMBL7222891 0.86 F2 (0.39) F2HDAC1OPRM1HDAC8KDM4E
SCHEMBL7219016 0.86 CA12 (0.41) F2HDAC1KDM4ENPC1RAB9A
SCHEMBL7224671 0.85 NTRK1 (0.40) F2HDAC6HDAC1KDM4ENPC1
SCHEMBL7218890 0.85 NTRK1 (0.40) F2KDM4ENPC1RAB9AKMT2A
SCHEMBL7216989 0.85 F2 (0.47) F2
SCHEMBL7222786 0.85 NTRK1 (0.44) F2HDAC1KDM4ENPC1RAB9A

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-6656956-B2 Tryptase inhibitor; antiinflamamtory agents, antiallergens BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-12-02 US disclosed