SCHEMBL21152096

SCHEMBL21152096

CNC1(C(=O)N(C=O)c2ccccc2)CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP3A4 P08684 1/20 0.34
POLB P06746 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HDAC1 Q13547 1/20 0.31
DPP9 Q86TI2 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30

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
SCHEMBL21151890 0.83 KMT2A (0.36) OPRM1KMT2AKDM4ECYP1A2CYP2D6
SCHEMBL21151155 0.80 KDM4E (0.36) OPRM1KMT2AKDM4E
SCHEMBL21150818 0.75 TSHR (0.44) KMT2AKDM4EMEN1OPRD1OPRK1
SCHEMBL7668013 0.70 SIGMAR1 (0.50) KMT2APOLBALDH1A1
SCHEMBL10499852 0.70 CYP1A2 (0.54) KMT2AKDM4ECYP1A2CYP2D6CYP3A4
SCHEMBL21152108 0.69 POLB (0.34) KDM4EPOLB
SCHEMBL13451571 0.69 OPRM1 (0.44) OPRM1KMT2ACYP1A2CYP2D6CYP3A4
SCHEMBL16750982 0.68 KDM4E (0.69) OPRM1KMT2AKDM4ECYP1A2CYP2D6
SCHEMBL6639926 0.68 LMNA (0.40) KMT2ACYP3A4MEN1ALDH1A1
SCHEMBL6010129 0.67 SMN1; SMN2 (0.49) OPRM1KMT2AKDM4EMEN1HDAC1

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-2019136442-A1 CD16A BINDING AGENTS AND USES THEREOF KLEO PHARMACEUTICALS, INC. (US) 2019-07-11 WO disclosed