SCHEMBL21694015

SCHEMBL21694015

Cc1c(N)cccc1OCC1CCC(COc2ccc(N)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.43
PARP15 Q460N3 4/20 0.42
PARP10 Q53GL7 4/20 0.42
PARP2 Q9UGN5 2/20 0.42
MCHR1 Q99705 3/20 0.39
NFE2L2 Q16236 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
TSHR P16473 1/20 0.38
HTR2C P28335 2/20 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
SCHEMBL28474252 0.90 RIPK1 (0.47) RIPK1MCHR1TSHRHTR2C
SCHEMBL21694298 0.85 RIPK1 (0.48) RIPK1MCHR1TDP1TSHRHTR2C
SCHEMBL23493029 0.85 RIPK1 (0.48) RIPK1PARP15PARP10PARP2NFE2L2
SCHEMBL21694076 0.85 CBX7 (0.39) RIPK1PARP15PARP10PARP2MCHR1
SCHEMBL21694175 0.83 RIPK1 (0.43) RIPK1PARP15PARP10PARP2MCHR1
SCHEMBL21694239 0.82 RIPK1 (0.41) RIPK1MCHR1TSHRHTR2C
SCHEMBL2565996 0.80 PARP15 (0.59) PARP15PARP10PARP2NFE2L2TDP1
SCHEMBL21693965 0.79 TDP1 (0.44) TDP1TSHR
SCHEMBL27268063 0.76 RIPK1 (0.41) RIPK1PARP15PARP10PARP2MCHR1
SCHEMBL21693994 0.75 PARP15 (0.45) PARP15PARP10PARP2NFE2L2TDP1

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
WO-2020032091-A1 EPOXY COMPOUND, EPOXY RESIN, EPOXY RESIN COMPOSITION, CURED RESIN PRODUCT, PREPREG, FIBER-REINFORCED COMPOSITE MATERIAL, AND PRODUCTION METHOD FOR THESE 帝人株式会社 2020-02-13 WO disclosed