SCHEMBL8068924

SCHEMBL8068924

CN1CCN(C(=O)CCc2ccc3c(=O)c4[nH]nnc4c(=O)[nH]c3c2)CC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.38
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
MDM2 Q00987 1/20 0.36
IGF1R P08069 2/20 0.36
TSHR P16473 3/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
CACNA1G O43497 1/20 0.35
USP2 O75604 1/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
KMT2A Q03164 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TERT O14746 2/20 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
SCHEMBL8066729 0.85 MAPK1 (0.47) ALDH1A1LMNAUSP2MAPK1NPSR1
SCHEMBL7822908 0.83 KDM4E (0.38) PARP1TSHRALDH1A1LMNAHSD17B10
SCHEMBL7831864 0.82 KDM4E (0.40) TLR7ALDH1A1HSD17B10PDE3BPDE3A
SCHEMBL8069019 0.80 PRMT5 (0.39) PARP1ALDH1A1HSD17B10PDE3BPDE3A
SCHEMBL7826505 0.78 PTGES (0.47) PARP1TSHRALDH1A1HSD17B10KMT2A
SCHEMBL8068238 0.77 MAPT (0.33) HSD17B10KMT2ATERT
SCHEMBL8066827 0.76 MAPT (0.42) TSHRALDH1A1LMNAUSP2MAPK1
SCHEMBL7825628 0.76 PTGES (0.46) ALDH1A1KMT2A
SCHEMBL7826259 0.74 PTGES (0.51) ALDH1A1HSD17B10
SCHEMBL7828601 0.74 PARP1 (0.37) PARP1ALDH1A1LMNAHSD17B10KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6093714-A AN ANTIALLERGENS FOR TREATMENT AND PREVENTION OF BRONCHIAL ASTHMA, ECZEMA, HIVES, ALLERGIC GASTROINTESTINAL TROUBLES, ALLERGIC RHINITIS, ALLERGIC CONJUNCTIVITIS MEIJI SEIKA KAISHA, LTD. (JP) 2000-07-25 US disclosed
EP-0834512-A1 TRICYCLIC BENZAZEPINE COMPOUNDS MEIJI SEIKA KAISHA LTD. (JP) 1998-04-08 EP disclosed