SCHEMBL11698795

SCHEMBL11698795

O=C(CC1CCNCC1)CC1CCNCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 4/20 0.52
GABRB2 P47870 3/20 0.52
GABRA1 P14867 3/20 0.52
SLC6A1 P30531 2/20 0.52
SLC6A12 P48065 2/20 0.52
SLC6A11 P48066 2/20 0.52
SLC6A13 Q9NSD5 2/20 0.52
GABRA4 P48169 2/20 0.52
GABRR1 P24046 1/20 0.52
EPHX1 P07099 3/20 0.47
TSHR P16473 3/20 0.44
GABRG2 P18507 2/20 0.44
GABRB3 P28472 2/20 0.44
GABRA3 P34903 2/20 0.44
GABRA2 P47869 2/20 0.44
GABRA6 Q16445 2/20 0.44
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRE P78334 1/20 0.44

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
SCHEMBL24524829 0.88 GABRA5 (0.47) GABRA5GABRB2GABRA1SLC6A1SLC6A12
SCHEMBL6264076 0.86 GABRA5 (0.45) GABRA5GABRB2GABRA1SLC6A1SLC6A12
SCHEMBL26077271 0.86 GABRA5 (0.45) GABRA5GABRB2GABRA1SLC6A1SLC6A12
SCHEMBL879294 0.86 GABRA5 (0.45) GABRA5GABRB2GABRA1SLC6A1SLC6A12
SCHEMBL14204666 0.83 GNAI3 (0.43) GABRA5GABRB2GABRA1SLC6A1SLC6A12
SCHEMBL44579 0.82 GABRA5 (0.75) GABRA5GABRB2GABRA1SLC6A1SLC6A12
SCHEMBL17653843 0.80 EPHX1 (0.49) GABRA5GABRB2GABRA1SLC6A1SLC6A12
SCHEMBL505815 0.80 GABRA5 (0.48) GABRA5GABRB2GABRA1SLC6A1SLC6A12
Hydrochloric Acid SCHEMBL1967312 0.80 GABRA5 (0.72) GABRA5GABRB2GABRA1SLC6A1SLC6A12
SCHEMBL4754506 0.80 GABRA5 (0.48) GABRA5GABRB2GABRA1SLC6A1SLC6A12

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
US-4064255-A ANTIDEPRESSANTS MAR-PHA SOCIETE D'ETUDES ET D'EXPLOITATION DE MARQUES (FR) 1977-12-20 US disclosed