SCHEMBL8304631

SCHEMBL8304631

CCCCCCCCCCCCCCC(F)C(F)(F)N1CCC(c2cc(N)ccc2OC)CC1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 2/20 0.36
ACHE P22303 1/20 0.36
DRD2 P14416 1/20 0.36
HTR2A P28223 2/20 0.34
GRM2 Q14416 2/20 0.34
HTR1A P08908 1/20 0.34
TRPC6 Q9Y210 1/20 0.34
DPP4 P27487 2/20 0.33
CNR2 P34972 3/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SIGMAR1 Q99720 2/20 0.32

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
SCHEMBL6784774 0.76 DRD2 (0.55) HTR4ACHEDRD2HTR1AMEN1
SCHEMBL8304633 0.72 DRD2 (0.44) HTR4ACHEDRD2GRM2MEN1
SCHEMBL6716473 0.71 DRD2 (0.42) DRD2HTR2AMEN1KMT2A
SCHEMBL7029357 0.70 QDPR (0.52) DRD2HTR2AMEN1KMT2A
SCHEMBL7938441 0.69 KDM4E (0.46) HTR2A
SCHEMBL6717514 0.69 EHMT2 (0.42) DRD2HTR2AMEN1KMT2A
SCHEMBL6815771 0.69 MEN1 (0.45) TRPC6MEN1KMT2A
SCHEMBL6924205 0.68 ABCB1 (0.43) DRD2SIGMAR1
SCHEMBL7880812 0.68 HTR2A (0.47) HTR2AHTR1A
Water SCHEMBL6827475 0.67 EHMT2 (0.41) DRD2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0898569-A1 PIPERIDINES AND PYRROLIDINES MERCK PATENT GmbH (DE) 1999-03-03 EP disclosed
WO-1997040038-A1 PIPERIDINES AND PYRROLIDINES MERCK PATENT GMBH (DE) 1997-10-30 WO disclosed