SCHEMBL7248203

SCHEMBL7248203

CCOc1ccccc1N1CCNCC1.Cn1c(CCc2ccc(C(N)=NO)cc2)nc2cc(C(=O)O)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 2/20 0.42
▸ NTRK1 P04629 1/20 0.42
▸ NTRK2 Q16620 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ HTR2C P28335 1/20 0.39
▸ HIF1A Q16665 2/20 0.39
▸ HDAC1 Q13547 2/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ ADRA1D P25100 2/20 0.37
▸ ADRA1A P35348 2/20 0.37
▸ ADRA1B P35368 2/20 0.37
▸ HTR1A P08908 1/20 0.36
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ LMNA P02545 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
SCHEMBL7250212 0.89 F2 (0.45) F2NTRK1NTRK2HSD17B10HTR2C
SCHEMBL7249812 0.87 PPARG (0.42) F2NTRK1NTRK2HTR2CHDAC1
SCHEMBL7250244 0.85 HTR2C (0.45) F2HTR2CHDAC1HDAC8HDAC6
SCHEMBL7253523 0.83 F2 (0.47) F2NTRK1NTRK2HTR2CHDAC1
SCHEMBL7252575 0.82 THRB (0.44) F2NTRK1NTRK2USP2HTR2C
SCHEMBL7249842 0.82 F2 (0.43) F2NTRK1NTRK2HTR2CHDAC1
SCHEMBL7249727 0.81 F2 (0.41) F2NTRK1NTRK2HTR2CHDAC1
SCHEMBL7243857 0.81 F2 (0.54) F2NTRK1NTRK2HSD17B10HDAC1
SCHEMBL7256417 0.80 F2 (0.43) F2HSD17B10HTR2CHDAC1HDAC8
SCHEMBL7250891 0.79 L3MBTL1 (0.42) F2HSD17B10HTR2CHDAC1HDAC8

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-6512000-B1 Aminocarbonyl- substituted benzimidazole derivatives for the treatment of diseases in which inhibition of tryptase is of therapeutic such as for treating an inflammatory or allergic disease BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-01-28 — — US disclosed
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