SCHEMBL21119323

SCHEMBL21119323

CC(CC#CCC(C)n1ccc2ccccc21)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 15/20 0.47
▸ SLC6A2 P23975 15/20 0.47
▸ GRM5 P41594 1/20 0.42

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
SCHEMBL8112459 0.77 SLC6A2 (0.44) SLC6A4SLC6A2
SCHEMBL24729036 0.73 SLC6A2 (0.49) SLC6A4SLC6A2
SCHEMBL599150 0.73 SLC6A2 (0.49) SLC6A4SLC6A2
SCHEMBL28506253 0.73 SLC6A4 (0.54) SLC6A4SLC6A2
SCHEMBL29591657 0.72 SLC6A2 (0.47) SLC6A4SLC6A2
SCHEMBL598296 0.72 SLC6A2 (0.47) SLC6A4SLC6A2
SCHEMBL18258618 0.72 SLC6A4 (0.47) SLC6A4SLC6A2
SCHEMBL16984737 0.72 SLC6A4 (0.47) SLC6A4SLC6A2
SCHEMBL13671503 0.71 SLC6A2 (0.50) SLC6A4SLC6A2
SCHEMBL31517709 0.70 SLC6A2 (0.46) SLC6A4SLC6A2

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-2279291-B1 COFERONS AND METHODS OF MAKING AND USING THEM UNIV CORNELL (US) 2019-07-03 — — EP disclosed
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