SCHEMBL7947622

SCHEMBL7947622

O=C(NCc1cc(Br)ccc1N1CCN(c2ccncc2)CC1)Nc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
HTT P42858 1/20 0.49
HTR1A P08908 3/20 0.48
DRD2 P14416 3/20 0.48
NAMPT P43490 3/20 0.44
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
F10 P00742 1/20 0.41
PKM P14618 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
FPR2 P25090 1/20 0.41

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
SCHEMBL7947618 0.88 KMT2A (0.49) MAPTHTTHTR1ADRD2NAMPT
SCHEMBL7956448 0.85 HTT (0.46) HTTHTR1ADRD2NAMPTROCK2
SCHEMBL7956464 0.77 SMN1; SMN2 (0.47) MAPTKMT2ASMN1; SMN2MEN1POLB
SCHEMBL7956445 0.77 NAMPT (0.52) HTTHTR1ADRD2NAMPTROCK2
SCHEMBL7967171 0.74 KMT2A (0.54) HTR1ADRD2KMT2A
SCHEMBL7947475 0.71 KMT2A (0.52) HTR1ADRD2KMT2ASMN1; SMN2
SCHEMBL26697159 0.69 RAB9A (0.62) MAPTHTTKMT2ASMN1; SMN2MEN1
SCHEMBL11616834 0.68 HTT (1.00) HTTNAMPTROCK2ROCK1KMT2A
SCHEMBL7958206 0.66 CCR5 (0.50) HTTHTR1ASMN1; SMN2POLBF10
SCHEMBL7956458 0.66 POLB (0.51) MAPTNAMPTKMT2ASMN1; SMN2MEN1

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 3 patents. 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
EP-0880501-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICAL AGENTS ZENECA LIMITED (GB) 1998-12-02 EP disclosed
WO-1997028128-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICAL AGENTS ZENECA LIMITED (GB) 1997-08-07 WO disclosed