SCHEMBL7958355

SCHEMBL7958355

Brc1ccc(OC2CCN(c3ccncc3)CC2)nc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.42
LSS P48449 1/20 0.41
CHKA P35790 1/20 0.40
DGAT1 O75907 1/20 0.39
F10 P00742 4/20 0.38
ADRB2 P07550 1/20 0.37
NCF1 P14598 1/20 0.37
PLD1 Q13393 1/20 0.37
ACACB O00763 1/20 0.36
ITGB3 P05106 2/20 0.36
ITGA2B P08514 2/20 0.36
OXTR P30559 1/20 0.35
AVPR1A P37288 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
KDM1A O60341 1/20 0.34
MAOB P27338 1/20 0.34

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
SCHEMBL7961553 0.92 ACACB (0.41) HRH3LSSDGAT1ACACBOXTR
SCHEMBL7957015 0.92 ACACB (0.41) HRH3LSSDGAT1ACACBOXTR
SCHEMBL7947301 0.92 ACACB (0.41) HRH3LSSDGAT1ACACBOXTR
SCHEMBL7956692 0.84 FPR2 (0.47) HRH3CHKAF10
SCHEMBL7956483 0.84 HRH3 (0.44) HRH3CHKAACACBOXTRAVPR1A
SCHEMBL7956260 0.81 DPP4 (0.47) HRH3F10ADRB2NCF1PLD1
SCHEMBL7961541 0.81 LIPG (0.53) HRH3
SCHEMBL15633157 0.79 DGAT1 (0.49) HRH3DGAT1ACACBAVPR1AHCRTR1
SCHEMBL7961706 0.79 MAPT (0.46) HRH3F10
SCHEMBL3617804 0.79 TDO2 (0.49) HRH3DGAT1

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
US-6313127-B1 FOR THERAPY OF HYPERCHOLESTEROLEMIA OR ATHEROSCLEROSIS ZENECA LIMITED (GB) 2001-11-06 US disclosed