SCHEMBL6296259

SCHEMBL6296259

CO/C(=C/C=C/c1cc2cc(Cl)c(Cl)cc2[nH]1)C(=O)NCC1CC2CCC(C1)N2C

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATP6V1B1 P15313 5/20 0.76
ATP6AP1 Q15904 1/20 0.57
HTR3E A5X5Y0 1/20 0.34
GMNN O75496 1/20 0.34
HTR3B O95264 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
MTOR P42345 1/20 0.34
HTR3A P46098 1/20 0.34
PMP22 Q01453 1/20 0.34
HTR3D Q70Z44 1/20 0.34
HTR3C Q8WXA8 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GAA P10253 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32

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
SCHEMBL6292859 1.00 ATP6V1B1 (0.76) ATP6V1B1ATP6AP1HTR3EGMNNHTR3B
SCHEMBL6295583 0.86 ATP6V1B1 (1.00) ATP6V1B1ATP6AP1HTR3EGMNNHTR3B
SCHEMBL6295582 0.86 ATP6V1B1 (1.00) ATP6V1B1ATP6AP1HTR3EGMNNHTR3B
SCHEMBL6292583 0.83 ATP6V1B1 (0.93) ATP6V1B1ATP6AP1HTR3A
SCHEMBL6295623 0.79 ATP6V1B1 (0.82) ATP6V1B1ATP6AP1TSHR
SCHEMBL6291700 0.78 ATP6V1B1 (0.81) ATP6V1B1ATP6AP1
SCHEMBL6291701 0.78 ATP6V1B1 (0.81) ATP6V1B1ATP6AP1
SCHEMBL6291696 0.78 ATP6V1B1 (0.81) ATP6V1B1ATP6AP1
SCHEMBL8343613 0.78 ATP6V1B1 (0.70) ATP6V1B1ATP6AP1HSD17B10GAA
SCHEMBL8343617 0.78 ATP6V1B1 (0.70) ATP6V1B1ATP6AP1HSD17B10GAA

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