SCHEMBL7216888

SCHEMBL7216888

Cn1c(CCc2ccc(CN)cc2)nc2cc(N(Cc3cccc4ccccc34)C(=O)CN3CCC(Nc4cccnc4)CC3)ccc21

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.37
KDM4E B2RXH2 4/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
NTRK1 P04629 6/20 0.34
NTRK2 Q16620 6/20 0.34
HDAC1 Q13547 1/20 0.34
ALDH1A1 P00352 3/20 0.34
GLA P06280 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NAMPT P43490 1/20 0.33
CYP2D6 P10635 1/20 0.33
POLB P06746 1/20 0.33
SIGLEC9 Q9Y336 1/20 0.33

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
SCHEMBL7124457 0.94 F2 (0.45) F2KDM4ENPC1RAB9A
SCHEMBL7222786 0.91 NTRK1 (0.44) F2KDM4ENPC1RAB9ANTRK1
SCHEMBL7219016 0.91 CA12 (0.41) F2KDM4ENPC1RAB9ANTRK1
SCHEMBL7218890 0.90 NTRK1 (0.40) F2KDM4ENPC1RAB9ANTRK1
SCHEMBL7216788 0.90 KDM4E (0.39) F2KDM4ENPC1RAB9ANTRK1
SCHEMBL7223673 0.89 F2 (0.39) F2KDM4ENPC1RAB9ANTRK1
SCHEMBL7224671 0.87 NTRK1 (0.40) F2KDM4ENPC1RAB9ANTRK1
SCHEMBL7118128 0.87 F2 (0.49) F2KDM4ENPC1RAB9A
SCHEMBL7117072 0.87 F2 (0.46) F2
SCHEMBL7117041 0.86 KCNH2 (0.41) F2KDM4ENPC1RAB9ANTRK1

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