SCHEMBL6291675

SCHEMBL6291675

CCN(CC)CCCNC(=O)/C(=C/C=C/c1cc2ccccc2[nH]1)OC

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATP6V1B1 P15313 4/20 0.75
ATP6AP1 Q15904 1/20 0.43
DRD2 P14416 2/20 0.41
DRD3 P35462 2/20 0.41
MEN1 O00255 1/20 0.41
CYP2D6 P10635 1/20 0.41
KMT2A Q03164 1/20 0.41
DRD1 P21728 1/20 0.41
DRD4 P21917 1/20 0.41
HTR2C P28335 1/20 0.41
ACKR3 P25106 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
APP P05067 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.38

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
SCHEMBL6291678 1.00 ATP6V1B1 (0.75) ATP6V1B1ATP6AP1DRD2DRD3MEN1
SCHEMBL6291679 1.00 ATP6V1B1 (0.75) ATP6V1B1ATP6AP1DRD2DRD3MEN1
SCHEMBL8350868 0.90 ATP6V1B1 (0.67) ATP6V1B1ATP6AP1DRD2DRD3HTR2C
SCHEMBL8350872 0.90 ATP6V1B1 (0.67) ATP6V1B1ATP6AP1DRD2DRD3HTR2C
SCHEMBL8350863 0.90 ATP6V1B1 (0.67) ATP6V1B1ATP6AP1DRD2DRD3HTR2C
SCHEMBL8343521 0.88 ATP6V1B1 (0.80) ATP6V1B1ATP6AP1MEN1KMT2AALDH1A1
SCHEMBL8346958 0.81 ATP6V1B1 (0.68) ATP6V1B1ATP6AP1MEN1KMT2AACKR3
SCHEMBL8346962 0.81 ATP6V1B1 (0.68) ATP6V1B1ATP6AP1MEN1KMT2AACKR3
SCHEMBL8346964 0.81 ATP6V1B1 (0.68) ATP6V1B1ATP6AP1MEN1KMT2AACKR3
SCHEMBL8343510 0.80 ATP6V1B1 (0.71) ATP6V1B1ATP6AP1CYP2D6ALDH1A1KDM4E

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-6903117-B2 Indole derivatives for the treatment of osteoporosis NIKEM RESEARCH S.R.L. (IT) 2005-06-07 US claimed
US-6903117-B2 Indole derivatives for the treatment of osteoporosis NIKEM RESEARCH S.R.L. (IT) 2005-06-07 US disclosed