SCHEMBL7250212

SCHEMBL7250212

Cc1ccccc1N1CCNCC1.Cn1c(CCc2ccc(C(N)=NO)cc2)nc2cc(C(=O)O)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 2/20 0.45
▸ HTR2C P28335 2/20 0.42
▸ HDAC1 Q13547 4/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ NTRK1 P04629 4/20 0.39
▸ NTRK2 Q16620 3/20 0.39
▸ HDAC6 Q9UBN7 2/20 0.38
▸ ADRB1 P08588 1/20 0.38
▸ PTGER4 P35408 1/20 0.37
▸ GAA P10253 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ THRB P10828 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ HSP90AA1 P07900 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
SCHEMBL7248938 0.89 HTR2C (0.43) F2HTR2CHDAC1HDAC8NTRK1
SCHEMBL7248203 0.89 F2 (0.42) F2HTR2CHDAC1HDAC8NTRK1
SCHEMBL7250244 0.87 HTR2C (0.45) F2HTR2CHDAC1HDAC8HDAC6
SCHEMBL7249842 0.87 F2 (0.43) F2HTR2CHDAC1HDAC8NTRK1
SCHEMBL7253523 0.86 F2 (0.47) F2HTR2CHDAC1HDAC8NTRK1
SCHEMBL7252575 0.84 THRB (0.44) F2HTR2CHDAC1HDAC8NTRK1
SCHEMBL7243857 0.84 F2 (0.54) F2HDAC1HDAC8NTRK1NTRK2
SCHEMBL7249727 0.83 F2 (0.41) F2HTR2CHDAC1HDAC8NTRK1
SCHEMBL7249812 0.83 PPARG (0.42) F2HTR2CHDAC1HDAC8NTRK1
SCHEMBL7256417 0.83 F2 (0.43) F2HTR2CHDAC1HDAC8HDAC6

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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