SCHEMBL7249842

SCHEMBL7249842

Cc1cccc(N2CCNCC2)c1.Cn1c(CCc2ccc(C(N)=NO)cc2)nc2cc(C(=O)O)ccc21

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 2/20 0.43
▸ ADRB1 P08588 1/20 0.40
▸ HTR2C P28335 2/20 0.40
▸ HDAC1 Q13547 2/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ NTRK1 P04629 3/20 0.38
▸ NTRK2 Q16620 2/20 0.38
▸ MAPT P10636 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ PTGER4 P35408 1/20 0.37
▸ ACSL1 P33121 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ KHK P50053 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 0.91 THRB (0.44) F2ADRB1HTR2CHDAC1HDAC6
SCHEMBL7249727 0.90 F2 (0.41) F2HTR2CHDAC1HDAC6HDAC8
SCHEMBL7249812 0.90 PPARG (0.42) F2HTR2CHDAC1HDAC6HDAC8
SCHEMBL7255958 0.89 GLP1R (0.43) F2ADRB1HTR2CHDAC1HDAC6
SCHEMBL7250212 0.87 F2 (0.45) F2ADRB1HTR2CHDAC1HDAC6
SCHEMBL7250244 0.85 HTR2C (0.45) F2HTR2CHDAC1HDAC6HDAC8
SCHEMBL7253523 0.84 F2 (0.47) F2HTR2CHDAC1HDAC6HDAC8
SCHEMBL7243857 0.83 F2 (0.54) F2HDAC1HDAC6HDAC8NTRK1
SCHEMBL7248203 0.82 F2 (0.42) F2HTR2CHDAC1HDAC6HDAC8
SCHEMBL7256417 0.82 F2 (0.43) F2HTR2CHDAC1HDAC6HDAC8

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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