SCHEMBL7249727

SCHEMBL7249727

CC(C)Oc1cccc(N2CCNCC2)c1.Cn1c(CCc2ccc(C(N)=NO)cc2)nc2cc(C(=O)O)ccc21

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 2/20 0.41
▸ IDH1 O75874 2/20 0.39
▸ FAAH O00519 1/20 0.38
▸ HTR2C P28335 2/20 0.38
▸ MAPT P10636 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ HDAC1 Q13547 2/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ TGFBR1 P36897 1/20 0.35
▸ ACVR1 Q04771 1/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ ACACB O00763 1/20 0.34
▸ NTRK1 P04629 1/20 0.34
▸ NTRK2 Q16620 1/20 0.34

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) F2FAAHHTR2CTSHRHDAC1
SCHEMBL7249812 0.91 PPARG (0.42) F2FAAHHTR2CHDAC1HDAC8
SCHEMBL7249842 0.90 F2 (0.43) F2HTR2CMAPTTSHRRAB9A
SCHEMBL7250212 0.83 F2 (0.45) F2HTR2CMAPTRAB9AHDAC1
SCHEMBL7250244 0.82 HTR2C (0.45) F2HTR2CRAB9AHDAC1HDAC8
SCHEMBL7253523 0.82 F2 (0.47) F2HTR2CRAB9AHDAC1HDAC8
SCHEMBL7248203 0.81 F2 (0.42) F2HTR2CMAPTRAB9AHDAC1
SCHEMBL7243857 0.81 F2 (0.54) F2MAPTRAB9AHDAC1HDAC8
SCHEMBL7256417 0.80 F2 (0.43) F2IDH1HTR2CHDAC1HDAC8
Phenylpiperazine SCHEMBL7248311 0.79 HTR2C (0.46) F2HTR2CMAPTTSHRRAB9A

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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