SCHEMBL7217499

SCHEMBL7217499

Cn1c(CCc2ccc(CN)cc2)nc2cc(N(Cc3cccc4ccccc34)C(=O)CN3CCC(C(=O)c4ccccc4)CC3)ccc21

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.42
HTR2A P28223 1/20 0.38
HDAC1 Q13547 2/20 0.37
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ACSL1 P33121 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TLR7 Q9NYK1 3/20 0.35
HDAC8 Q9BY41 1/20 0.35
POLB P06746 1/20 0.35
KCNH2 Q12809 1/20 0.34
MGLL Q99685 1/20 0.34
MAPK1 P28482 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL7224489 0.94 F2 (0.51) F2HTR2AHDAC1KDM4EALDH1A1
SCHEMBL7219009 0.90 F2 (0.41) F2HDAC1KDM4ENPC1RAB9A
SCHEMBL7224671 0.86 NTRK1 (0.40) F2HDAC1KDM4ENPC1RAB9A
SCHEMBL7216788 0.86 KDM4E (0.39) F2HDAC1KDM4ENPC1RAB9A
SCHEMBL7223072 0.85 F2 (0.51) F2HDAC1
SCHEMBL7219016 0.85 CA12 (0.41) F2HDAC1KDM4ENPC1RAB9A
SCHEMBL7222891 0.85 F2 (0.39) F2HDAC1KDM4ENPC1RAB9A
SCHEMBL7223673 0.85 F2 (0.39) F2HDAC1KDM4ENPC1RAB9A
SCHEMBL7218890 0.85 NTRK1 (0.40) F2KDM4ENPC1RAB9AALDH1A1
SCHEMBL7218777 0.85 F2 (0.51) F2

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