SCHEMBL17860979

SCHEMBL17860979

Ic1ccnc(N2CCCC3CCCCC32)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37
GRM2 Q14416 1/20 0.36
HCRTR1 O43613 13/20 0.35
HCRTR2 O43614 13/20 0.35
EGLN2 Q96KS0 1/20 0.35
JAK1 P23458 1/20 0.35
JAK3 P52333 1/20 0.35
SMARCA2 P51531 2/20 0.34
SMARCA4 P51532 2/20 0.34
PBRM1 Q86U86 2/20 0.34
NR1I2 O75469 1/20 0.32
NR1H2 P55055 1/20 0.32
POLB P06746 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL17033299 0.82 CCR1 (0.43) GRM2HCRTR1HCRTR2
SCHEMBL17031855 0.78 HCRTR1 (0.43) GRM2HCRTR1HCRTR2EGLN2
SCHEMBL20336407 0.76 ALDH1A1 (0.42)
SCHEMBL19564475 0.72 HCRTR1 (0.60) HCRTR1HCRTR2
SCHEMBL19564478 0.72 HCRTR1 (0.60) HCRTR1HCRTR2
SCHEMBL12654044 0.70 HRH4 (0.47)
SCHEMBL12654054 0.70 HRH4 (0.51)
SCHEMBL20197188 0.68 HRH4 (0.54)
SCHEMBL17001733 0.66 KIT (0.41)
SCHEMBL6236175 0.65 EGLN2 (0.51) EGLN2

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-2015130830-A9 CARBAMATE, ESTER, AND KETONE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2016-06-23 WO disclosed