SCHEMBL7356121

SCHEMBL7356121

CC(C)(CO)CN1CCC(c2noc3cc(F)ccc23)CC1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.67
SLC6A4 P31645 1/20 0.67
ACHE P22303 2/20 0.65
HTR2A P28223 9/20 0.62
HTR7 P34969 8/20 0.62
KCNH2 Q12809 8/20 0.62
DRD3 P35462 1/20 0.58

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
Fumaric Acid SCHEMBL1545387 0.92 HTR2A (0.60) DRD2SLC6A4ACHEHTR2AHTR7
Fumaric Acid SCHEMBL1545384 0.92 HTR2A (0.60) DRD2SLC6A4ACHEHTR2AHTR7
SCHEMBL8346979 0.86 DRD2 (0.69) DRD2SLC6A4ACHEHTR2AHTR7
SCHEMBL1545404 0.86 DRD2 (0.66) DRD2SLC6A4ACHEHTR2AHTR7
SCHEMBL9394136 0.84 DRD2 (0.64) DRD2SLC6A4ACHEHTR2AHTR7
SCHEMBL1545195 0.83 ACHE (0.80) DRD2SLC6A4ACHEHTR2AHTR7
SCHEMBL18432239 0.83 DRD2 (0.82) DRD2SLC6A4ACHEHTR2AHTR7
SCHEMBL1545719 0.83 DRD2 (0.74) DRD2SLC6A4ACHEHTR2AHTR7
SCHEMBL1545611 0.82 ACHE (0.93) DRD2SLC6A4ACHEHTR2AHTR7
SCHEMBL1544799 0.81 ACHE (0.77) DRD2SLC6A4ACHEHTR2AHTR7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0612318-A1 HETEROARYLPIPERIDINES, PYRROLIDINES AND PIPERAZINES AND THEIR USE AS ANTIPSYCHOTICS AND ANALGETICS HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1994-08-31 EP claimed
EP-0542136-A1 Heteroarylpiperidines, pyrrolidines and piperazines and their use as antipsychotics and analgetics HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1993-05-19 EP claimed
WO-1993009102-A1 HETEROARYLPIPERIDINES, PYRROLIDINES AND PIPERAZINES AND THEIR USE AS ANTIPSYCHOTICS AND ANALGETICS HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1993-05-13 WO claimed