SCHEMBL879385

SCHEMBL879385

COC(=O)CCn1cc(C2CC2)nn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICMT O60725 3/20 0.40
DPP4 P27487 2/20 0.39
CYP19A1 P11511 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GPR88 Q9GZN0 1/20 0.38
TP53 P04637 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
MIF P14174 1/20 0.37
HDAC3 O15379 3/20 0.37
HDAC4 P56524 3/20 0.37
HDAC1 Q13547 3/20 0.37
HDAC7 Q8WUI4 3/20 0.37
HDAC2 Q92769 3/20 0.37
HDAC10 Q969S8 3/20 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
SCHEMBL10129837 0.76 GPR88 (0.46) CYP19A1GPR88GAAIDO1
SCHEMBL23573913 0.76 CYP19A1 (0.36) CYP19A1TSHRGPR88IDO1
SCHEMBL19535067 0.75 CYP19A1 (0.46) DPP4CYP19A1HRH4HRH3MIF
SCHEMBL3737019 0.75 ICMT (0.47) ICMTDPP4HPGDTSHRHSD17B10
SCHEMBL10129843 0.74 GPR88 (0.44) DPP4CYP19A1GPR88TP53IDO1
SCHEMBL3730419 0.74 ICMT (0.41) ICMTHPGDTSHRHSD17B10GPR88
SCHEMBL616557 0.72 NR1H4 (0.39) ICMTHPGDTSHRHSD17B10TP53
SCHEMBL616773 0.72 ICMT (0.40) ICMTHPGDTSHRHSD17B10TP53
SCHEMBL6326477 0.72 HDAC3 (0.67) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12985206 0.72 EPHX2 (0.50) CYP19A1HRH4HRH3GPR88GAA

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
EP-1682537-B1 MODULATORS OF CELLULAR ADHESION SARCODE BIOSCIENCE INC (US) 2012-03-28 EP disclosed