SCHEMBL8303317

SCHEMBL8303317

N#Cc1ccc2[nH]cc(C3CCN(CCNc4ccccc4)CC3)c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 11/20 0.54
SLC6A2 P23975 1/20 0.52
SLC6A3 Q01959 1/20 0.52
KCNH2 Q12809 2/20 0.50
HTR6 P50406 1/20 0.50
CCR2 P41597 1/20 0.49
GABRP O00591 1/20 0.49
GABRD O14764 1/20 0.49
GABRA1 P14867 1/20 0.49
GABRB1 P18505 1/20 0.49
GABRG2 P18507 1/20 0.49
GABRB3 P28472 1/20 0.49
GABRA5 P31644 1/20 0.49
GABRA3 P34903 1/20 0.49
GABRA2 P47869 1/20 0.49
GABRB2 P47870 1/20 0.49
GABRA4 P48169 1/20 0.49
GABRE P78334 1/20 0.49
GABRA6 Q16445 1/20 0.49
GABRG1 Q8N1C3 1/20 0.49

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
SCHEMBL8303545 0.95 SLC6A4 (0.53) SLC6A4SLC6A2SLC6A3
SCHEMBL8298953 0.91 HTR1A (0.50) SLC6A4SLC6A2SLC6A3KCNH2GABRP
SCHEMBL8299474 0.86 KCNH2 (0.51) SLC6A4SLC6A2SLC6A3KCNH2CCR2
SCHEMBL8298238 0.86 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3OPRM1OPRK1
SCHEMBL8296789 0.85 HTR1A (0.62) SLC6A4KCNH2HTR6OPRM1OPRK1
SCHEMBL27510973 0.83 DRD2 (0.54) SLC6A4KCNH2CCR2OPRM1OPRK1
SCHEMBL6385498 0.82 KCNH2 (0.56) SLC6A4SLC6A2SLC6A3KCNH2HTR6
SCHEMBL8304106 0.82 DRD4 (0.53) SLC6A4SLC6A2SLC6A3
SCHEMBL8303384 0.81 HTR1A (0.49) SLC6A4SLC6A2SLC6A3KCNH2GABRP
SCHEMBL8878773 0.80 SLC6A4 (0.60) SLC6A4SLC6A2SLC6A3KCNH2HTR6

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
CN-1223650-A Piperidines and pyrrolidines MERCK PATENT GMBH (DE) 1999-07-21 CN disclosed
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