SCHEMBL5286214

SCHEMBL5286214

CCCCCCn1nnc(C)c1C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.44
CNR1 P21554 7/20 0.37
CNR2 P34972 7/20 0.37
HCAR3 P49019 1/20 0.35
SMPD1 P17405 4/20 0.34
MAPT P10636 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL5274077 0.93 SLC9A1 (0.41) SLC9A1CNR1CNR2HCAR3MAPT
SCHEMBL5286755 0.85 SLC9A1 (0.38) SLC9A1HCAR3ALDH1A1
SCHEMBL5280030 0.85 SLC9A1 (0.43) SLC9A1CNR1CNR2HCAR3SMPD1
SCHEMBL5279214 0.85 SLC9A1 (0.43) SLC9A1CNR1CNR2HCAR3SMPD1
SCHEMBL5283641 0.83 SLC9A1 (0.44) SLC9A1CNR1CNR2HCAR3SMPD1
SCHEMBL5285138 0.82 SLC9A1 (0.41) SLC9A1CNR1CNR2HCAR3SMPD1
SCHEMBL5278264 0.82 SLC9A1 (0.41) SLC9A1HCAR3SMPD1MAPTALDH1A1
SCHEMBL5286792 0.81 SLC9A1 (0.43) SLC9A1CNR1CNR2HCAR3SMPD1
SCHEMBL5280385 0.81 SLC9A1 (0.43) SLC9A1CNR1CNR2HCAR3SMPD1
SCHEMBL5275981 0.81 SLC9A1 (0.43) SLC9A1CNR1CNR2HCAR3SMPD1

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-1859781-A2 Brightening and/or colouring agent with triazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed