SCHEMBL4035864

SCHEMBL4035864

COc1cccc(N2CCN(C(=O)c3ccccc3)C(CC(c3ccccc3)c3ccccc3)C2)c1.NC(=O)NC=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GFER P55789 2/20 0.44
ROCK2 O75116 1/20 0.41
PRKG1 Q13976 1/20 0.41
MTNR1B P49286 3/20 0.41
SLC6A9 P48067 1/20 0.41
DRD4 P21917 1/20 0.41
TRPM8 Q7Z2W7 2/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MTNR1A P48039 1/20 0.39
TRPC6 Q9Y210 1/20 0.39
TSHR P16473 1/20 0.39
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ADRB1 P08588 1/20 0.39
HTR2A P28223 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
SCHEMBL4038511 0.71 HSD11B1 (0.43) DRD4
SCHEMBL19561830 0.67 ALDH1A1 (0.73) KMT2AMAPTHSD17B10TSHRSMN1; SMN2
SCHEMBL2118205 0.67 ADRB1 (0.80) ADRB1HTR2AHTR2BSIGMAR1
SCHEMBL8984615 0.64 SLC6A9 (0.46) MEN1KMT2AGFERROCK2PRKG1
SCHEMBL12526583 0.64 CASR (0.45) MEN1KMT2AGFERTRPM8MAPT
SCHEMBL10323060 0.64 MTNR1A (0.55) MEN1KMT2AGFERMTNR1BSLC6A9
SCHEMBL10323057 0.64 MTNR1A (0.55) MEN1KMT2AGFERMTNR1BSLC6A9
SCHEMBL3465390 0.63 ADRB1 (0.50) MEN1KMT2AMTNR1BDRD4MAPT
SCHEMBL9594359 0.63 SPHK1 (0.52) MEN1KMT2AGFERMTNR1BMAPT
SCHEMBL8690417 0.63 KMT2A (0.62) MEN1KMT2AGFERROCK2OPRK1

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-1592389-B1 PIPERAZINE-2-CARBOXAMIDE DERIVATIVES SERONO LAB (CH) 2009-04-22 EP claimed