SCHEMBL11294673

SCHEMBL11294673

NCC(O)C1=CC2(CCCCC2)c2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.34
SLC6A3 Q01959 3/20 0.34
SLC6A2 P23975 2/20 0.34
IDO1 P14902 1/20 0.31
DPP4 P27487 1/20 0.30

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
SCHEMBL11290081 0.98 IDO1 (0.32) SLC6A4SLC6A3SLC6A2IDO1DPP4
SCHEMBL11291680 0.92 IDO1 (0.33) IDO1
SCHEMBL11295572 0.84 LMNA (0.37)
SCHEMBL11289410 0.84
SCHEMBL11287307 0.81 MAOB (0.44) SLC6A2
SCHEMBL11290059 0.80 RIPK1 (0.30)
SCHEMBL11290458 0.80 APOBEC3A (0.39)
SCHEMBL11288858 0.80 SLC6A4 (0.34) SLC6A4SLC6A3SLC6A2
SCHEMBL31452460 0.80 SLC6A4 (0.34) SLC6A4SLC6A3SLC6A2
SCHEMBL11290087 0.80 SLC6A2 (0.36) SLC6A4SLC6A3SLC6A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0000825-B1 GEMINALLY DISUBSTITUTED INDENE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Kabi AB (SE) 1982-04-14 EP disclosed
US-4218472-A USED AS DECONGESANT, HYPOTENSIVE AGENT, VASOCONSTRICTOR, ANTI-RESERPINE AGENT, TREATING INCONTINENCE AB KABI (SE) 1980-08-19 US disclosed
EP-0000825-A1 Geminally disubstituted indene derivatives, processes for their preparation and pharmaceutical compositions containing them Kabi AB (SE) 1979-02-21 EP disclosed