SCHEMBL7473337

SCHEMBL7473337

CN1CCN(c2nccnc2OCCOc2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 9/20 0.50
TSHR P16473 1/20 0.48
HSD17B10 Q99714 1/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 1/20 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
SCHEMBL7465003 0.87 HRH4 (0.54) HRH4TSHRHSD17B10
SCHEMBL4310871 0.86 MAPK1 (0.48) HRH4TSHRHSD17B10NPC1RAB9A
SCHEMBL4308039 0.83 TSHR (0.48) TSHRHSD17B10
SCHEMBL4324612 0.80 HTR2C (0.48) TSHRHSD17B10
SCHEMBL4326876 0.80 HTR2C (0.48) TSHRHSD17B10
SCHEMBL4315346 0.79 CHRNB2 (0.46) TSHRHSD17B10
SCHEMBL4312056 0.77 MAPT (0.46) TSHRHSD17B10
SCHEMBL4316201 0.76 LTA4H (0.48) HRH4TSHRHSD17B10
SCHEMBL7473246 0.76 KDM1A (0.44) HRH4
SCHEMBL4002342 0.75 KDM4E (0.45) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1178973-A2 NOVEL COMPOUNDS, THEIR USE AND PREPARATION Pharmacia AB (SE) 2002-02-13 EP disclosed
WO-2000076984-A2 NOVEL COMPOUNDS, THEIR USE AND PREPARATION BIOVITRUM AB (SE) 2000-12-21 WO disclosed