SCHEMBL7128627

SCHEMBL7128627

O=C1c2cccc3c(N4CCCN(CC5CC5)CC4)ccc(c23)N1CC1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD1 O95696 1/20 0.54
TAF1 P21675 1/20 0.54
BRPF1 P55201 1/20 0.54
CYP1B1 Q16678 4/20 0.54
MEN1 O00255 6/20 0.51
KMT2A Q03164 6/20 0.51
MAPT P10636 4/20 0.51
RAB9A P51151 2/20 0.51
MAPK1 P28482 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
NPC1 O15118 1/20 0.51
AVPR1A P37288 1/20 0.51
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
HTT P42858 2/20 0.43
USP2 O75604 2/20 0.43
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.43
TRPC5 Q9UL62 1/20 0.43

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
SCHEMBL7130986 0.99 CYP1B1 (0.55) BRD1TAF1BRPF1CYP1B1MEN1
SCHEMBL7129139 0.98 CYP1B1 (0.54) BRD1TAF1BRPF1CYP1B1MEN1
SCHEMBL7123906 0.98 CYP1B1 (0.54) BRD1TAF1BRPF1CYP1B1MEN1
SCHEMBL7130538 0.97 BRD1 (0.55) BRD1TAF1BRPF1CYP1B1MEN1
SCHEMBL7120096 0.96 CYP1B1 (0.54) BRD1TAF1BRPF1CYP1B1MEN1
SCHEMBL7130477 0.92 MEN1 (0.54) BRD1TAF1BRPF1CYP1B1MEN1
SCHEMBL7129206 0.90 MEN1 (0.61) BRD1TAF1BRPF1CYP1B1MEN1
SCHEMBL7131301 0.90 BRD1 (0.56) BRD1TAF1BRPF1MEN1KMT2A
SCHEMBL7130938 0.89 CYP1B1 (0.49) BRD1TAF1BRPF1CYP1B1MEN1
SCHEMBL7122094 0.89 MEN1 (0.49) BRD1TAF1BRPF1CYP1B1MEN1

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-6667303-B1 Agonists for serotonin 5-hydroxytryptamine 2C(5HT2C) receptor; 6-(1,4-diazepan-1-yl)benzo(cd)indol-2(1H)-ones, 6-(1,4-diazepan-1-yl)acenaphthylen-1(2H)-ones, and 5-(1,4-diazepan-1-yl)- 2H-naphtho(1,8-cd)isothiazole-1,1-dioxides WYETH 2003-12-23 US claimed