SCHEMBL4070701

SCHEMBL4070701

O=C(COO)NC1CCNCC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.55
GNAI3 P08754 1/20 0.50
GNAO1 P09471 1/20 0.50
GNAI1 P63096 1/20 0.50
POLB P06746 1/20 0.50
NPSR1 Q6W5P4 1/20 0.46
CHRM3 P20309 2/20 0.44
CHRM5 P08912 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
EPHX2 P34913 1/20 0.40
LMNA P02545 1/20 0.39
ATF4 P18848 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
CHRM1 P11229 1/20 0.38
HPGD P15428 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 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
SCHEMBL15447812 0.83 NPSR1 (0.68) EPHX1GNAI3GNAO1GNAI1POLB
SCHEMBL21882064 0.83 EPHX1 (0.53) EPHX1GNAI3GNAO1GNAI1POLB
SCHEMBL28291327 0.80 EPHX1 (0.50) EPHX1GNAI3GNAO1GNAI1POLB
SCHEMBL7656762 0.80 EPHX1 (0.50) EPHX1GNAI3GNAO1GNAI1POLB
SCHEMBL19764243 0.79 GNAI3 (0.49) EPHX1GNAI3GNAO1GNAI1POLB
SCHEMBL12049724 0.78 EPHX1 (0.47) EPHX1GNAI3GNAO1GNAI1POLB
SCHEMBL5106542 0.78 EPHX1 (0.61) EPHX1GNAI3GNAO1GNAI1POLB
SCHEMBL18872267 0.78 GNAI3 (0.48) EPHX1GNAI3GNAO1GNAI1POLB
SCHEMBL31314544 0.76 EPHX1 (0.59) EPHX1GNAI3GNAO1GNAI1POLB
SCHEMBL4144366 0.76 EPHX1 (0.59) EPHX1GNAI3GNAO1GNAI1POLB

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-1515724-B1 MITOTIC KINESIN INHIBITORS MERCK & CO INC (US) 2009-10-21 EP claimed