SCHEMBL9386192

SCHEMBL9386192

CC(C)(C)c1ccccc1CCCC1CCNCC1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 12/20 0.55
HRH3 Q9Y5N1 1/20 0.42
SLC6A2 P23975 9/20 0.42
SLC6A3 Q01959 2/20 0.42
NAMPT P43490 1/20 0.40
GBA1 P04062 1/20 0.40
RBP4 P02753 1/20 0.37

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
SCHEMBL9386979 0.91 SLC6A4 (0.52) SLC6A4HRH3SLC6A2SLC6A3GBA1
SCHEMBL11400538 0.78 SLC6A4 (0.61) SLC6A4HRH3NAMPTGBA1
SCHEMBL11539374 0.78 SLC6A4 (0.53) SLC6A4SLC6A2
SCHEMBL18404328 0.77 EED (0.42) SLC6A4HRH3SLC6A2SLC6A3GBA1
SCHEMBL8521048 0.75 SLC6A4 (0.43) SLC6A4SLC6A2SLC6A3GBA1RBP4
SCHEMBL3143212 0.74 SLC6A4 (0.39) SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL82734 0.74 GBA1 (0.61) SLC6A4HRH3GBA1
SCHEMBL9387232 0.73 KCNH2 (0.54) HRH3
SCHEMBL7987100 0.72 LMNA (0.51) SLC6A4SLC6A2SLC6A3NAMPT
Hydrochloric Acid SCHEMBL7669421 0.72 GBA1 (0.59) SLC6A4HRH3GBA1

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
WO-1994001403-A1 PIPERIDINE DERIVATIVES SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 1994-01-20 WO disclosed