SCHEMBL8303545

SCHEMBL8303545

N#Cc1ccc2[nH]cc(C3CCN(CCNc4ccccc4)C3)c2c1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 15/20 0.53
SLC6A2 P23975 1/20 0.52
SLC6A3 Q01959 1/20 0.52
CYP2D6 P10635 1/20 0.47

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
SCHEMBL8303317 0.95 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3
SCHEMBL8298238 0.91 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3
SCHEMBL8303384 0.86 HTR1A (0.49) SLC6A4SLC6A2SLC6A3
SCHEMBL8298953 0.86 HTR1A (0.50) SLC6A4SLC6A2SLC6A3
SCHEMBL8297151 0.83 SLC6A4 (0.48) SLC6A4CYP2D6
SCHEMBL8299474 0.81 KCNH2 (0.51) SLC6A4SLC6A2SLC6A3
SCHEMBL8572323 0.81 HTR1D (0.49)
SCHEMBL8296789 0.81 HTR1A (0.62) SLC6A4
SCHEMBL8304106 0.79 DRD4 (0.53) SLC6A4SLC6A2SLC6A3
SCHEMBL8302931 0.79 OPRM1 (0.56) SLC6A4

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