SCHEMBL8025772

SCHEMBL8025772

CC[C@H](C)CCc1ccsc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.49
DRD3 P35462 2/20 0.49
TAAR1 Q96RJ0 1/20 0.48
SLC1A3 P43003 2/20 0.35
SLC1A2 P43004 2/20 0.35
SLC1A1 P43005 2/20 0.35
ADORA2A P29274 1/20 0.35
MEN1 O00255 1/20 0.34
KDM4A O75164 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PTGES O14684 1/20 0.33
ALOX5 P09917 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA6 Q15825 1/20 0.33
MME P08473 1/20 0.33

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
SCHEMBL8025775 1.00 DRD2 (0.49) DRD2DRD3TAAR1SLC1A3SLC1A2
SCHEMBL27790947 0.83 TAAR1 (0.57) DRD2DRD3TAAR1SLC1A3SLC1A2
SCHEMBL12594976 0.82 TAAR1 (0.54) DRD2DRD3TAAR1SLC1A3SLC1A2
SCHEMBL3659555 0.80 TAAR1 (0.44) DRD2DRD3TAAR1SLC1A3SLC1A2
SCHEMBL3659556 0.80 TAAR1 (0.44) DRD2DRD3TAAR1SLC1A3SLC1A2
SCHEMBL14140173 0.80 DRD2 (0.43) DRD2DRD3TAAR1MEN1KDM4A
SCHEMBL6715395 0.80 DRD2 (0.43) DRD2DRD3TAAR1MEN1KDM4A
SCHEMBL7681251 0.79 DRD2 (0.47) DRD2DRD3TAAR1SLC1A3SLC1A2
SCHEMBL5304252 0.78 TAAR1 (0.50) DRD2DRD3TAAR1SLC1A3SLC1A2
SCHEMBL5303749 0.78 TAAR1 (0.55) DRD2DRD3TAAR1SLC1A3SLC1A2

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-2000077068-A1 METHOD FOR POLYMERISING 3,4-SUBSTITUTED 2-ACTIVATED THIOPENES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2000-12-21 WO disclosed