SCHEMBL9488302

SCHEMBL9488302

CC1(C)CN(CCc2ccccc2)c2cc(Cl)cc(C(=O)O)c2O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.40
ADRA1D P25100 1/20 0.38
KCNH2 Q12809 3/20 0.38
SIGMAR1 Q99720 3/20 0.38
OPRM1 P35372 2/20 0.38
ALDH1A1 P00352 2/20 0.37
ALDH2 P05091 1/20 0.37
ALDH3A1 P30838 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
SLC5A2 P31639 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
PARK7 Q99497 1/20 0.36
NOTUM Q6P988 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
HTT P42858 1/20 0.36
CA2 P00918 1/20 0.36

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
SCHEMBL9485099 0.90 NOTUM (0.38) ALDH1A1SMN1; SMN2SLC5A2KDM4EFFAR4
SCHEMBL9485028 0.85 FFAR4 (0.36) DRD2ALDH1A1FFAR4HTT
SCHEMBL9485223 0.83 DRD2 (0.36) DRD2ALDH1A1KDM4EFFAR4
SCHEMBL9485840 0.83 FFAR4 (0.37) ALDH1A1FFAR4NOTUM
SCHEMBL9485751 0.81 HTR3A (0.53) KCNH2
SCHEMBL7270656 0.79 DRD2 (0.52) DRD2ADRA1DSIGMAR1ALDH1A1ALDH2
SCHEMBL7276148 0.79 CYP3A4 (0.37) DRD2ALDH1A1FFAR4NOTUMTP53
SCHEMBL7288574 0.77 ALDH1A1 (0.44) DRD2ADRA1DALDH1A1ALDH2ALDH3A1
SCHEMBL7280877 0.74 ALDH1A1 (0.40) DRD2ADRA1DALDH1A1ALDH2ALDH3A1
SCHEMBL7276032 0.71 DRD2 (0.35) DRD2MAPTNOTUM

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-5185333-A Dopamine D2 receptor blocking agents YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1993-02-09 US disclosed