SCHEMBL16175702

SCHEMBL16175702

CCc1ccc(NC(=O)ON2CCC3(CC2)CC(c2ccc4ccccc4c2)=NO3)cc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 1/20 0.45
ITGA4 P13612 1/20 0.45
FAAH O00519 1/20 0.40
RAB9A P51151 1/20 0.40
F10 P00742 4/20 0.39
F2 P00734 3/20 0.39
PRSS1 P07477 3/20 0.39
LMNA P02545 1/20 0.39
PYGL P06737 2/20 0.38
KMT2A Q03164 1/20 0.37

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
SCHEMBL5011113 0.90 RAB9A (0.43) ITGB1ITGA4FAAHRAB9AF10
SCHEMBL5012268 0.87 KMT2A (0.42) ITGB1ITGA4FAAHRAB9AF10
SCHEMBL5012891 0.87 MAPT (0.45) RAB9AF10F2PRSS1LMNA
SCHEMBL5125301 0.86 MAPT (0.47) ITGB1ITGA4FAAHRAB9APYGL
SCHEMBL16175610 0.86 ALDH1A1 (0.39) FAAHF10LMNAKMT2A
SCHEMBL5012988 0.85 SMN1; SMN2 (0.37) FAAHRAB9AF10F2PRSS1
SCHEMBL5012914 0.84 LMNA (0.40) FAAHRAB9AF10F2PRSS1
SCHEMBL16175714 0.82 HTT (0.46) KMT2A
SCHEMBL5012290 0.82 F10 (0.43) F10F2PRSS1KMT2A
SCHEMBL5068349 0.81 KMT2A (0.42) KMT2A

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
EP-1888596-B1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS GRUENENTHAL GMBH (DE) 2014-10-22 EP claimed
EP-1888596-B1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS GRUENENTHAL GMBH (DE) 2014-10-22 EP disclosed