SCHEMBL6291602

SCHEMBL6291602

CO/C(=C\C=C\c1cc2cc(Cl)c(Cl)cc2[nH]1)C(=O)NCCCN1CCN(c2ccccn2)CC1

nearest known ligand 0.83

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ATP6V1B1 P15313 4/20 0.83
ATP6AP1 Q15904 1/20 0.49
SLC6A4 P31645 2/20 0.47
HTR1A P08908 3/20 0.45
HTR2A P28223 3/20 0.45
HTR2C P28335 2/20 0.45
DRD3 P35462 2/20 0.45
DRD2 P14416 2/20 0.44
DRD4 P21917 3/20 0.43

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
SCHEMBL6291607 1.00 ATP6V1B1 (0.83) ATP6V1B1ATP6AP1SLC6A4HTR1AHTR2A
SCHEMBL6291608 1.00 ATP6V1B1 (0.83) ATP6V1B1ATP6AP1SLC6A4HTR1AHTR2A
SCHEMBL6363567 0.89 ATP6V1B1 (0.80) ATP6V1B1ATP6AP1SLC6A4HTR2AHTR2C
SCHEMBL6296250 0.89 ATP6V1B1 (0.80) ATP6V1B1ATP6AP1HTR2ADRD3DRD2
SCHEMBL6296254 0.89 ATP6V1B1 (0.80) ATP6V1B1ATP6AP1HTR2ADRD3DRD2
SCHEMBL6363568 0.89 ATP6V1B1 (0.80) ATP6V1B1ATP6AP1SLC6A4HTR2AHTR2C
SCHEMBL6296252 0.89 ATP6V1B1 (0.80) ATP6V1B1ATP6AP1HTR2ADRD3DRD2
SCHEMBL6291930 0.88 ATP6V1B1 (0.94) ATP6V1B1ATP6AP1HTR1AHTR2ADRD3
SCHEMBL6291933 0.88 ATP6V1B1 (0.94) ATP6V1B1ATP6AP1HTR1AHTR2ADRD3
SCHEMBL6291919 0.87 ATP6V1B1 (0.76) ATP6V1B1HTR1ADRD3DRD2DRD4

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