SCHEMBL6245404

SCHEMBL6245404

CCC(CC)(c1ccc2c(c1)OCO2)c1c[nH]c2c(N)cccc12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KIF11 P52732 1/20 0.32
IMPDH2 P12268 1/20 0.32
CYP19A1 P11511 1/20 0.32
TGFBR1 P36897 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
HTT P42858 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
NPC1 O15118 3/20 0.31
RAB9A P51151 2/20 0.31
USP2 O75604 1/20 0.31
ADORA3 P0DMS8 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL6089177 0.80 NR3C1 (0.51) MEN1KMT2ARAB9A
SCHEMBL6089244 0.78 NR3C1 (0.39) SLC6A4IMPDH2MEN1KMT2ALMNA
SCHEMBL6090711 0.74 NR3C1 (0.42) KMT2AHTTLMNATSHRSMN1; SMN2
SCHEMBL6091030 0.74 NR3C1 (0.51) KMT2ANPC1RAB9ANPSR1TSHR
SCHEMBL8323334 0.70 IMPDH2 (0.41) IMPDH2MEN1KMT2ARAB9A
SCHEMBL1349374 0.68 NR3C1 (0.49) KMT2AHTTLMNATSHR
SCHEMBL1349457 0.68 NR3C1 (0.42) MEN1KMT2A
SCHEMBL6089364 0.65 NR3C1 (0.39) SLC6A4MEN1KMT2AHTTLMNA
SCHEMBL6090728 0.65 IMPDH2 (0.39) IMPDH2MEN1KMT2ALMNANPSR1
SCHEMBL6091020 0.64 NR3C1 (0.49)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1597254-A1 INDOLE-DERIVATIVE MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS Eli Lilly and Company (US) 2005-11-23 EP disclosed
WO-2004067529-A1 INDOLE-DERIVATIVE MODULATORS OF STEROID HORMONE NUCLEAR RECEPTORS ELI LILLY AND COMPANY (US) 2004-08-12 WO disclosed