SCHEMBL7219016

SCHEMBL7219016

Cn1c(CCc2ccc(CN)cc2)nc2cc(N(Cc3cccc4ccccc34)C(=O)CN3CCC(Nc4ccc5ccccc5c4)CC3)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA13 Q8N1Q1 1/20 0.41
CA14 Q9ULX7 1/20 0.41
KDM4E B2RXH2 4/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
F2 P00734 3/20 0.38
ALDH1A1 P00352 1/20 0.36
CXCR3 P49682 2/20 0.36
NTRK1 P04629 6/20 0.35
NTRK2 Q16620 6/20 0.35
HDAC1 Q13547 1/20 0.35
RECQL P46063 1/20 0.35
CYP2D6 P10635 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
SCHEMBL7115903 0.94 F2 (0.46) CA12CA1CA2CA4CA5A
SCHEMBL7218890 0.93 NTRK1 (0.40) KDM4ENPC1RAB9AF2ALDH1A1
SCHEMBL7216788 0.93 KDM4E (0.39) KDM4ENPC1RAB9AF2ALDH1A1
SCHEMBL7222786 0.92 NTRK1 (0.44) KDM4ENPC1RAB9AF2ALDH1A1
SCHEMBL7216888 0.91 F2 (0.37) KDM4ENPC1RAB9AF2ALDH1A1
SCHEMBL7223673 0.90 F2 (0.39) KDM4ENPC1RAB9AF2ALDH1A1
SCHEMBL7224671 0.89 NTRK1 (0.40) KDM4ENPC1RAB9AF2ALDH1A1
SCHEMBL7217108 0.88 CA12 (0.46) CA12CA1CA2CA4CA5A
SCHEMBL7118128 0.88 F2 (0.49) KDM4ENPC1RAB9AF2
SCHEMBL7120411 0.87 F2 (0.46) KDM4ENPC1RAB9AF2

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