SCHEMBL19188293

SCHEMBL19188293

CCCC(C)(C)C(=O)NCNC

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
DRD2 P14416 2/20 0.38
DRD4 P21917 2/20 0.38
CNR1 P21554 1/20 0.37
CCR2 P41597 1/20 0.36
ALDH1A1 P00352 1/20 0.35
RIPK1 Q13546 2/20 0.34
SMO Q99835 1/20 0.33
ELANE P08246 1/20 0.33
TRPA1 O75762 2/20 0.32
MMP2 P08253 1/20 0.32
MMP8 P22894 1/20 0.32
MMP13 P45452 1/20 0.32
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL19882343 0.83 GRM4 (0.31) CNR1RIPK1
SCHEMBL19882341 0.82 KMT2A (0.46) MEN1KMT2ATDP1DRD2DRD4
SCHEMBL22328974 0.82 RIPK1 (0.48) DRD2DRD4CCR2ALDH1A1RIPK1
SCHEMBL18876819 0.80 CNR1 (0.45) MEN1KMT2ATDP1DRD2DRD4
SCHEMBL13036470 0.79 MEN1 (0.47) MEN1KMT2ATDP1DRD2DRD4
SCHEMBL17447486 0.78 MEN1 (0.40) MEN1KMT2ATDP1DRD2DRD4
SCHEMBL17447490 0.77 CNR1 (0.58) MEN1KMT2ATDP1DRD2DRD4
SCHEMBL19176845 0.77 MEN1 (0.42) MEN1KMT2ATDP1DRD2DRD4
SCHEMBL23502424 0.75 MEN1 (0.41) MEN1KMT2ATDP1DRD2DRD4
SCHEMBL17447489 0.75 MEN1 (0.41) MEN1KMT2ATDP1DRD2DRD4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2887952-B1 ANTIBODIES TO OLANZAPINE HAPTENS AND USE THEREOF JANSSEN PHARMACEUTICA NV (BE) 2019-05-15 EP disclosed
EP-2888286-B1 ANTIBODIES TO QUETIAPINE HAPTENS AND USE THEREOF JANSSEN PHARMACEUTICA NV (BE) 2018-02-21 EP disclosed
EP-2888257-B1 HAPTENS OF QUETIAPINE FOR USE IN IMMUNOASSAYS JANSSEN PHARMACEUTICA NV (BE) 2017-08-02 EP disclosed