SCHEMBL9586372

SCHEMBL9586372

CC(=O)SCC(Cc1ccccc1)NC(=O)NC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 4/20 0.57
KMT2A Q03164 3/20 0.57
DRD2 P14416 2/20 0.57
DRD3 P35462 2/20 0.57
TSHR P16473 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
SIGMAR1 Q99720 5/20 0.54
DCUN1D1 Q96GG9 2/20 0.52
POLB P06746 2/20 0.51
EPHX1 P07099 1/20 0.51
EPHX2 P34913 1/20 0.51
KDM4E B2RXH2 1/20 0.51
HSD17B10 Q99714 1/20 0.51
DPP7 Q9UHL4 1/20 0.50
UBE2M P61081 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MEN1 O00255 1/20 0.49

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
SCHEMBL9587265 0.84 DRD4 (0.61) DRD4KMT2ADRD2DRD3TSHR
SCHEMBL9586367 0.81 DRD4 (0.57) DRD4KMT2ADRD2DRD3TSHR
SCHEMBL7144268 0.79 CYP2D6 (0.67) DRD4KMT2ADRD2DRD3TSHR
SCHEMBL3243860 0.78 TSHR (0.76) DRD4KMT2ADRD2DRD3TSHR
SCHEMBL3243863 0.78 TSHR (0.76) DRD4KMT2ADRD2DRD3TSHR
SCHEMBL9587602 0.76 MME (0.48) CYP2D6CYP2C9
SCHEMBL3164487 0.76 SIGMAR1 (0.74) DRD4KMT2ADRD2DRD3TSHR
SCHEMBL3960091 0.75 SIGMAR1 (0.64) DRD4KMT2ADRD2DRD3SIGMAR1
SCHEMBL13102940 0.74 DRD4 (0.78) DRD4KMT2ADRD2DRD3CYP2D6
SCHEMBL13102958 0.74 SIGMAR1 (0.70) DRD4KMT2ADRD2DRD3SIGMAR1

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
US-5190974-A Analgesics ROUSSEL UCLAF (FR) 1993-03-02 US disclosed