SCHEMBL11680968

SCHEMBL11680968

O=C(O)CC1CCNCC1Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.53
SLC6A1 P30531 2/20 0.45
GABRA5 P31644 2/20 0.45
GABRB2 P47870 2/20 0.45
SLC6A12 P48065 2/20 0.45
SLC6A11 P48066 2/20 0.45
SLC6A13 Q9NSD5 2/20 0.45
GABRA1 P14867 1/20 0.45
GABRR1 P24046 1/20 0.45
GABRA4 P48169 1/20 0.45
REN P00797 6/20 0.41
CTSD P07339 2/20 0.41
CTSE P14091 2/20 0.41
PGC P20142 2/20 0.41
CYSLTR2 Q9NS75 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40
JAK3 P52333 1/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39

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
Hydrochloric Acid SCHEMBL11685174 0.98 GBA1 (0.51) GBA1SLC6A1GABRA5GABRB2SLC6A12
SCHEMBL8035229 0.81 GBA1 (0.48) GBA1
SCHEMBL4709103 0.80 GBA1 (0.53) GBA1RENCTSDCTSEPGC
SCHEMBL6001919 0.78 GBA1 (0.68) GBA1SLC6A2SLC6A4SLC6A3
SCHEMBL5974321 0.78 GBA1 (0.68) GBA1SLC6A2SLC6A4SLC6A3
SCHEMBL5973809 0.78 GBA1 (0.68) GBA1SLC6A2SLC6A4SLC6A3
SCHEMBL5205480 0.78 GBA1 (0.68) GBA1SLC6A2SLC6A4SLC6A3
SCHEMBL7226927 0.78 GBA1 (0.68) GBA1RENCTSDCTSEPGC
SCHEMBL6001914 0.78 GBA1 (0.68) GBA1SLC6A2SLC6A4SLC6A3
SCHEMBL11883450 0.78 SLC6A11 (0.50) SLC6A1GABRA5GABRB2SLC6A12SLC6A11

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
US-4034095-A ANTIDEPRESSANT, ANTICHOLINERGIC SANDOZ LTD. (CH) 1977-07-05 US disclosed
US-4024265-A ANTIDEPRESSANTS SANDOZ LTD. (CH) 1977-05-17 US disclosed