SCHEMBL8208874

SCHEMBL8208874

CC(C)NC(=O)c1cccc(C(=O)NCC2CCN(c3cccc(N)c3)CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.43
KDR P35968 1/20 0.43
ACACB O00763 2/20 0.42
USP30 Q70CQ3 2/20 0.41
HTR4 Q13639 2/20 0.41
HTR1A P08908 1/20 0.40
HTR2A P28223 1/20 0.40
DRD3 P35462 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
F10 P00742 3/20 0.39
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
NAPEPLD Q6IQ20 3/20 0.39
MAPK14 Q16539 1/20 0.39

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
SCHEMBL8208262 0.87 CHRM4 (0.47) ALDH1A1LMNAPOLBHPGDSMN1; SMN2
SCHEMBL12853613 0.87 USP30 (0.51) ACACBUSP30DRD3F10
SCHEMBL8208875 0.82 LMNA (0.48) ACACBALDH1A1LMNAPOLBHPGD
SCHEMBL8201048 0.82 USP30 (0.47) ACACBUSP30ALDH1A1LMNAPOLB
SCHEMBL8206262 0.77 KDM4E (0.64)
SCHEMBL8206269 0.73 ADRB2 (0.45) ALDH1A1POLBHPGDMAPK14
SCHEMBL8198448 0.73 KDM4E (0.56)
SCHEMBL8211821 0.70 ROCK2 (0.47) ALDH1A1HPGDSMN1; SMN2
SCHEMBL8205739 0.70 FAAH (0.37) ACACBLMNA
SCHEMBL8207800 0.70 ROCK2 (0.47) ALDH1A1HPGD

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-2008082487-A2 NOVEL JNK INHIBITORS SCHERING CORPORATION (US) 2008-07-10 WO disclosed