SCHEMBL7253523

SCHEMBL7253523

Cn1c(CCc2ccc(C(N)=NO)cc2)nc2cc(C(=O)O)ccc21.c1ccc(CN2CCNCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.47
▸ HDAC1 Q13547 7/20 0.44
▸ HDAC8 Q9BY41 2/20 0.44
▸ HTR2C P28335 1/20 0.42
▸ HDAC6 Q9UBN7 3/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ GLP1R P43220 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ EHMT2 Q96KQ7 1/20 0.39
▸ EHMT1 Q9H9B1 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ NTRK1 P04629 1/20 0.39
▸ NTRK2 Q16620 1/20 0.39
▸ BCHE P06276 1/20 0.39
▸ ACHE P22303 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ GAA P10253 1/20 0.38

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
SCHEMBL7250650 0.88 GLP1R (0.48) F2HDAC1HDAC8HTR2CHDAC6
SCHEMBL7250212 0.86 F2 (0.45) F2HDAC1HDAC8HTR2CHDAC6
SCHEMBL7243857 0.86 F2 (0.54) F2HDAC1HDAC8HDAC6SMN1; SMN2
SCHEMBL7250244 0.86 HTR2C (0.45) F2HDAC1HDAC8HTR2CHDAC6
SCHEMBL7256417 0.85 F2 (0.43) F2HDAC1HDAC8HTR2CHDAC6
SCHEMBL7249842 0.84 F2 (0.43) F2HDAC1HDAC8HTR2CHDAC6
SCHEMBL7250891 0.84 L3MBTL1 (0.42) F2HDAC1HDAC8HTR2CHDAC6
SCHEMBL7248203 0.83 F2 (0.42) F2HDAC1HDAC8HTR2CHDAC6
SCHEMBL7252575 0.83 THRB (0.44) F2HDAC1HDAC8HTR2CHDAC6
SCHEMBL7249812 0.82 PPARG (0.42) F2HDAC1HDAC8HTR2CHDAC6

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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