SCHEMBL7275953

SCHEMBL7275953

COc1cccc(N2CCN(CCCc3sc(N)nc3-c3ccccc3)CC2)c1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.57
DRD2 P14416 2/20 0.51
HTR1A P08908 7/20 0.50
TRPV4 Q9HBA0 3/20 0.50
DRD3 P35462 3/20 0.47
SIGMAR1 Q99720 1/20 0.47
HTR2A P28223 2/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
Hydrochloric Acid SCHEMBL9870939 0.86 HTR2A (0.53) KCNH2DRD2HTR1ADRD3SIGMAR1
SCHEMBL7268941 0.85 HSD17B10 (0.51) DRD2HTR1ATRPV4DRD3SIGMAR1
SCHEMBL7268869 0.81 SIGMAR1 (0.58) KCNH2HTR1ADRD3SIGMAR1LMNA
SCHEMBL7277460 0.81 CACNA1G (0.50) DRD2HTR1ADRD3SIGMAR1HTR2A
SCHEMBL7270765 0.78 HTR1A (0.55) DRD2HTR1ADRD3SIGMAR1HTR2A
Cadaverine Tartrate SCHEMBL9871114 0.78 HTR1A (0.49) DRD2HTR1ATRPV4SIGMAR1HTR2A
SCHEMBL7268921 0.77 DRD2 (0.51) DRD2HTR1ADRD3HTR2ALMNA
SCHEMBL7275861 0.77 MAPT (0.55) KCNH2DRD2HTR1ADRD3HTR2A
Cadaverine Tartrate SCHEMBL9872027 0.76 SIGMAR1 (0.51) KCNH2DRD2HTR1ADRD3SIGMAR1
SCHEMBL7277915 0.75 CACNA1G (0.48) DRD2HTR1ADRD3SIGMAR1HTR2A

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-0409048-A2 Aminoalkyl substituted 2-aminothiazoles and medicines containing them BASF Aktiengesellschaft (DE) 1991-01-23 EP disclosed