SCHEMBL9586367

SCHEMBL9586367

O=C(S)CC[C@@H](Cc1ccccc1)NC(=O)NC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 4/20 0.57
DRD2 P14416 2/20 0.57
DRD3 P35462 2/20 0.57
KMT2A Q03164 2/20 0.57
TSHR P16473 1/20 0.54
SIGMAR1 Q99720 7/20 0.54
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
EPHX1 P07099 1/20 0.51
EPHX2 P34913 1/20 0.51
DPP7 Q9UHL4 1/20 0.50
DCUN1D1 Q96GG9 2/20 0.49
UBE2M P61081 1/20 0.49
ALDH1A1 P00352 1/20 0.49
POLB P06746 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 0.87 DRD4 (0.61) DRD4DRD2DRD3KMT2ATSHR
SCHEMBL9586372 0.81 DRD4 (0.57) DRD4DRD2DRD3KMT2ATSHR
SCHEMBL3243863 0.76 TSHR (0.76) DRD4DRD2DRD3KMT2ATSHR
SCHEMBL3243860 0.76 TSHR (0.76) DRD4DRD2DRD3KMT2ATSHR
SCHEMBL239527 0.75 DRD4 (0.71) DRD4DRD2DRD3KMT2ASIGMAR1
SCHEMBL239528 0.75 DRD4 (0.71) DRD4DRD2DRD3KMT2ASIGMAR1
SCHEMBL7144268 0.74 CYP2D6 (0.67) DRD4DRD2DRD3KMT2ATSHR
SCHEMBL9587599 0.74 NPC1 (0.46)
SCHEMBL2425554 0.73 SIGMAR1 (0.78) DRD4DRD2DRD3KMT2ATSHR
SCHEMBL9078087 0.73 DRD4 (1.00) DRD4DRD2DRD3KMT2ASIGMAR1

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