SCHEMBL4037368

SCHEMBL4037368

CC(CC1CN(c2ccc(Cl)c(Cl)c2)CCN1C(=O)c1cccc(Cl)c1)c1ccccc1.NC(=O)NC=O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.39
OPRK1 P41145 2/20 0.39
LMNA P02545 2/20 0.36
RECQL P46063 2/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
SLC6A7 Q99884 1/20 0.35
HTT P42858 2/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
MGLL Q99685 1/20 0.34

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
SCHEMBL4035864 0.76 MEN1 (0.44) OPRK1RECQLTSHRNPSR1TRPM8
SCHEMBL4033360 0.75 HSD11B1 (0.47)
SCHEMBL4035814 0.75 HSD11B1 (0.47)
SCHEMBL4032546 0.75 HSD11B1 (0.47)
SCHEMBL4036731 0.75 HSD11B1 (0.47)
SCHEMBL4037786 0.75 HSD11B1 (0.47)
SCHEMBL4037365 0.66 MAPT (0.45) OPRK1LMNATSHRNPSR1HTT
SCHEMBL4035688 0.66 CA12 (0.39) OPRK1
SCHEMBL16276190 0.65 SMN1; SMN2 (0.68) LMNATSHRMAPK1NPSR1HTT
SCHEMBL4032668 0.65 THRB (0.36) CCR1LMNARECQLNPSR1HTT

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