SCHEMBL7947301

SCHEMBL7947301

Brc1ccc(OC2CCN(c3ccncc3)C2)nc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACACB O00763 11/20 0.41
LIPG Q9Y5X9 1/20 0.40
HRH3 Q9Y5N1 1/20 0.38
LSS P48449 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
OXTR P30559 1/20 0.37
AVPR1A P37288 1/20 0.37
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
PDE10A Q9Y233 1/20 0.36
DGAT1 O75907 1/20 0.36

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
SCHEMBL7957015 1.00 ACACB (0.41) ACACBLIPGHRH3LSSHCRTR1
SCHEMBL7961553 1.00 ACACB (0.41) ACACBLIPGHRH3LSSHCRTR1
SCHEMBL7958355 0.92 HRH3 (0.42) ACACBHRH3LSSHCRTR1HCRTR2
SCHEMBL7954744 0.85 FPR2 (0.43) ACACBLIPGHRH3HCRTR1HCRTR2
SCHEMBL5632542 0.85 ACACB (0.43) ACACBLIPGHRH3OXTRAVPR1A
SCHEMBL7956252 0.81 LIPG (0.60) LIPGHRH3
SCHEMBL7961497 0.81 LIPG (0.60) LIPGHRH3
SCHEMBL7956524 0.81 LIPG (0.60) LIPGHRH3
SCHEMBL7956682 0.81 ACACB (0.43) ACACBLIPGHRH3PDE3BPDE3A
SCHEMBL7956861 0.81 ACACB (0.51) ACACBLSSPDE3BPDE3APDE10A

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