SCHEMBL7123913

SCHEMBL7123913

O=C1c2cccc3c(N4CCCN(CC5CCC5)CC4)ccc(c23)N1CCC(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD1 O95696 1/20 0.49
TAF1 P21675 1/20 0.49
BRPF1 P55201 1/20 0.49
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
RAB9A P51151 2/20 0.46
MAPK1 P28482 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
AVPR1A P37288 1/20 0.46
CYP1B1 Q16678 4/20 0.44
TDP1 Q9NUW8 2/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
HTR1A P08908 6/20 0.41
DRD2 P14416 6/20 0.41
HTR2A P28223 6/20 0.41
HTR7 P34969 6/20 0.41
HTR6 P50406 6/20 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
SCHEMBL7121225 0.97 BRD1 (0.52) BRD1TAF1BRPF1MEN1KMT2A
SCHEMBL7130880 0.95 BRD1 (0.48) BRD1TAF1BRPF1MEN1KMT2A
SCHEMBL7128155 0.93 CYP1B1 (0.47) BRD1TAF1BRPF1MEN1KMT2A
SCHEMBL7119877 0.92 BRD1 (0.51) BRD1TAF1BRPF1MEN1KMT2A
SCHEMBL7130454 0.90 MEN1 (0.48) BRD1TAF1BRPF1MEN1KMT2A
SCHEMBL7131429 0.89 MEN1 (0.52) MEN1KMT2ARAB9AMAPK1L3MBTL1
SCHEMBL7130974 0.89 CYP1B1 (0.45) BRD1TAF1BRPF1MEN1KMT2A
SCHEMBL7120096 0.88 CYP1B1 (0.54) BRD1TAF1BRPF1MEN1KMT2A
SCHEMBL7130538 0.87 BRD1 (0.55) BRD1TAF1BRPF1MEN1KMT2A
SCHEMBL7123650 0.87 HTR1A (0.50) MEN1KMT2ARAB9AMAPK1L3MBTL1

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