SCHEMBL13174692

SCHEMBL13174692

OC1(CC2CCNCC2)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 4/20 0.34
GABRB2 P47870 3/20 0.34
GABRA1 P14867 3/20 0.34
SLC6A1 P30531 2/20 0.34
SLC6A12 P48065 2/20 0.34
SLC6A11 P48066 2/20 0.34
SLC6A13 Q9NSD5 2/20 0.34
GABRA4 P48169 2/20 0.34
GABRR1 P24046 1/20 0.34
GBA1 P04062 3/20 0.33
EPHX1 P07099 2/20 0.33
CPN1 P15169 1/20 0.33
CPB2 Q96IY4 1/20 0.33
GNAI3 P08754 1/20 0.32
GNAO1 P09471 1/20 0.32
GNAI1 P63096 1/20 0.32
EPHX2 P34913 1/20 0.32
TSHR P16473 3/20 0.32
ALOX15 P16050 2/20 0.32
ITGB3 P05106 2/20 0.31

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
SCHEMBL11126900 0.91 SLC6A1 (0.32) GABRA5GABRB2GABRA1SLC6A1SLC6A12
SCHEMBL11124526 0.89 CYP2C19 (0.34) GABRA5GABRB2GABRA1SLC6A1SLC6A12
SCHEMBL16083912 0.86 ADRA2C (0.31)
SCHEMBL28814586 0.74
SCHEMBL12212592 0.73
SCHEMBL1691738 0.71 GBA1 (0.33) GABRA5GABRB2GABRA1SLC6A1SLC6A12
SCHEMBL15689716 0.70
SCHEMBL4752092 0.70 CYP2C19 (0.39) TSHR
SCHEMBL25133960 0.70 KDM1A (0.36) GBA1
SCHEMBL18931179 0.70 GBA1 (0.32) GBA1GNAI3GNAO1GNAI1ALOX15

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-2010101127-A1 INDOLE COMPOUND アステラス製薬株式会社 (JP) 2010-09-10 WO disclosed