SCHEMBL7249812

SCHEMBL7249812

CCOc1cccc(N2CCNCC2)c1.Cn1c(CCc2ccc(C(N)=NO)cc2)nc2cc(C(=O)O)ccc21

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 7/20 0.42
▸ F2 P00734 2/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.38
▸ HTR2C P28335 2/20 0.38
▸ CNR2 P34972 1/20 0.37
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ FAAH O00519 1/20 0.36
▸ NTRK1 P04629 1/20 0.36
▸ NTRK2 Q16620 1/20 0.36
▸ THRB P10828 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
SCHEMBL7252575 0.93 THRB (0.44) PPARGF2HDAC6HTR2CHDAC1
SCHEMBL7249727 0.91 F2 (0.41) F2HDAC6HTR2CCNR2HDAC1
SCHEMBL7249842 0.90 F2 (0.43) F2HDAC6HTR2CHDAC1HDAC8
SCHEMBL7248203 0.87 F2 (0.42) F2HDAC6HTR2CHDAC1HDAC8
SCHEMBL7250244 0.84 HTR2C (0.45) F2HDAC6HTR2CHDAC1HDAC8
SCHEMBL7250212 0.83 F2 (0.45) F2HDAC6HTR2CHDAC1HDAC8
SCHEMBL7253523 0.82 F2 (0.47) F2HDAC6HTR2CHDAC1HDAC8
SCHEMBL7243857 0.81 F2 (0.54) F2HDAC6HDAC1HDAC8NTRK1
SCHEMBL7256417 0.80 F2 (0.43) F2HDAC6HTR2CHDAC1HDAC8
Phenylpiperazine SCHEMBL7248311 0.79 HTR2C (0.46) F2HDAC6HTR2CHDAC1HDAC8

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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