SCHEMBL9315540

SCHEMBL9315540

COC1CCC(N)Cc2ccccc21

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.47
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
SIGMAR1 Q99720 2/20 0.44
IDO1 P14902 4/20 0.43
KDM1A O60341 7/20 0.41
KDM1B Q8NB78 2/20 0.41

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
SCHEMBL16866695 0.79 IDO1 (0.44) IDO1KDM1A
SCHEMBL18959593 0.79 IDO1 (0.44) IDO1KDM1A
SCHEMBL14209228 0.76 IDO1 (0.66) SIGMAR1IDO1
SCHEMBL447420 0.76 IDO1 (0.66) SIGMAR1IDO1
SCHEMBL21300294 0.76 IDO1 (0.66) SIGMAR1IDO1
SCHEMBL11592475 0.74 SLC6A2 (0.60) IDO1
SCHEMBL30998353 0.74 SLC6A2 (0.60) IDO1
SCHEMBL11592473 0.74 SLC6A2 (0.60) IDO1
SCHEMBL11592479 0.74 SLC6A2 (0.60) IDO1
SCHEMBL12727345 0.73 IDO1 (0.68) IDO1

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
EP-0583485-A1 ETHANOLAMINE DERIVATIVES HAVING SYMPATHOMIMETIC AND ANTI-POLLAKIURIA ACTIVITIES. FUJISAWA PHARMACEUTICAL CO (JP) 1994-02-23 EP disclosed