SCHEMBL4732656

SCHEMBL4732656

OC1(CC(c2cccc(Cl)c2)N2CCNCC2)CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 17/20 0.58
▸ SLC6A4 P31645 14/20 0.58
▸ SLC6A3 Q01959 12/20 0.58
▸ TACR1 P25103 2/20 0.47

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
SCHEMBL3049910 0.86 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3
SCHEMBL6481202 0.82 TACR1 (0.42) SLC6A2SLC6A4SLC6A3TACR1
Hydrochloric Acid SCHEMBL5739425 0.81 SLC6A2 (0.69) SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL4949114 0.79 SLC6A2 (0.53) SLC6A2SLC6A4SLC6A3
SCHEMBL3975345 0.74 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3
SCHEMBL3975368 0.74 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3
SCHEMBL3955237 0.74 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3
SCHEMBL3972746 0.74 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3
SCHEMBL3974156 0.74 SLC6A2 (1.00) SLC6A2SLC6A4SLC6A3
SCHEMBL14593440 0.74 SLC6A4 (0.57) SLC6A2SLC6A4SLC6A3TACR1

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
WO-2008060397-A2 METHOD OF TREATING THERMOREGULATORY DISFUNCTION NOVEN THERAPEUTICS, LLC (US) 2008-05-22 — — WO disclosed
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