SCHEMBL8220682

SCHEMBL8220682

OC(COc1ccccc1)CN1CCC(c2ccc(Cc3ccc(F)cc3)cc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.60
DRD4 P21917 4/20 0.58
DRD2 P14416 3/20 0.58
DRD3 P35462 3/20 0.58
L3MBTL1 Q9Y468 1/20 0.56
KDM4E B2RXH2 1/20 0.55
CYP2D6 P10635 1/20 0.54
HIF1A Q16665 1/20 0.54
CACNA1G O43497 1/20 0.54
KCNH2 Q12809 1/20 0.54
SLC18A3 Q16572 1/20 0.53
USP2 O75604 1/20 0.53

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 SCHEMBL9750973 0.85 L3MBTL1 (0.74) TSHRDRD4DRD2DRD3L3MBTL1
SCHEMBL3892463 0.84 CHRNA7 (0.72) TSHRDRD4DRD2DRD3L3MBTL1
Hydrochloric Acid SCHEMBL29686987 0.83 L3MBTL1 (0.67) TSHRDRD4DRD2DRD3L3MBTL1
SCHEMBL8219883 0.81 SLC18A3 (0.60) TSHRKDM4ESLC18A3
SCHEMBL13898514 0.80 ABCB1 (0.57) TSHRL3MBTL1KDM4ECYP2D6HIF1A
SCHEMBL13898309 0.80 ABCB1 (0.57) TSHRL3MBTL1KDM4ECYP2D6HIF1A
SCHEMBL13515653 0.79 DRD4 (0.62) TSHRDRD4DRD2DRD3L3MBTL1
SCHEMBL3038609 0.79 DRD4 (0.62) TSHRDRD4DRD2DRD3L3MBTL1
SCHEMBL13515649 0.79 TSHR (0.47) TSHRDRD4KCNH2
SCHEMBL3043127 0.79 TSHR (0.47) TSHRDRD4KCNH2

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-6048876-A ANTICONVULSANTS; ANTIEPILEPIC AGENT SUNTORY LIMITED (JP) 2000-04-11 US disclosed