SCHEMBL6689898

SCHEMBL6689898

Cn1cc(Br)c(-c2ccccc2N)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.41
MAPT P10636 4/20 0.41
ALDH1A1 P00352 4/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
ADORA2A P29274 1/20 0.37
HSD17B10 Q99714 2/20 0.35
HSD11B1 P28845 1/20 0.35
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
ADCY10 Q96PN6 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
HTT P42858 1/20 0.33
RGS12 O14924 1/20 0.33
USP2 O75604 1/20 0.33
RECQL P46063 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
SCHEMBL31352811 0.79 LMNA (0.45) DRD4MAPTALDH1A1L3MBTL1NPC1
SCHEMBL2273627 0.79 LMNA (0.45) DRD4MAPTALDH1A1L3MBTL1NPC1
SCHEMBL14236337 0.77 DRD4 (0.40) DRD4MAPTALDH1A1L3MBTL1ADORA2A
SCHEMBL3922875 0.74 L3MBTL1 (0.48) DRD4MAPTALDH1A1L3MBTL1HSD17B10
SCHEMBL6566313 0.74 HSD11B1 (0.46) DRD4ALDH1A1HSD17B10HSD11B1NPC1
SCHEMBL15428612 0.74 ADORA2A (0.42) DRD4MAPTALDH1A1ADORA2ANPC1
SCHEMBL15885492 0.73 PDE10A (0.39) DRD4
SCHEMBL4309166 0.71 KEAP1 (0.47) MAPTALDH1A1L3MBTL1ADORA2ANPC1
SCHEMBL14214073 0.71 BACE1 (0.39) DRD4MAPTALDH1A1L3MBTL1ADORA2A
SCHEMBL16964191 0.70 TLR8 (0.40) DRD4MAPTALDH1A1L3MBTL1HSD11B1

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
WO-2004028450-A2 PROCESS OF MAKING PHENYLPYRAZOLES USEFUL AS SELECTIVE 5HT2A MODULATORS AND INTERMEDIATES THEREOF ARENA PHARMACEUTICALS, INC. (US) 2004-04-08 WO disclosed