SCHEMBL8477142

SCHEMBL8477142

O=C1CCCC(N2C(=O)c3ccccc3C2=O)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
TSHR P16473 4/20 0.45
CYP1A2 P05177 2/20 0.45
CHRM2 P08172 1/20 0.45
OPRM1 P35372 1/20 0.45
DDB1 Q16531 1/20 0.45
CRBN Q96SW2 1/20 0.45
IKZF3 Q9UKT9 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 1/20 0.42
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
HTR2B P41595 2/20 0.40
TMEM97 Q5BJF2 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HTR3E A5X5Y0 1/20 0.40

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
SCHEMBL633891 0.93 ALDH1A1 (0.50) ALDH1A1TSHRCYP1A2CHRM2OPRM1
SCHEMBL17362473 0.86 ALDH1A1 (0.45) ALDH1A1TSHRCYP1A2CHRM2OPRM1
SCHEMBL29799384 0.86 ALDH1A1 (0.45) ALDH1A1TSHRCYP1A2CHRM2OPRM1
SCHEMBL17362471 0.86 ALDH1A1 (0.45) ALDH1A1TSHRCYP1A2CHRM2OPRM1
SCHEMBL7201032 0.85 ALDH1A1 (0.57) ALDH1A1TSHRCYP1A2CHRM2OPRM1
SCHEMBL18935574 0.85 ALDH1A1 (0.62) ALDH1A1TSHRCYP1A2CHRM2OPRM1
SCHEMBL30212234 0.85 ALDH1A1 (0.57) ALDH1A1TSHRCYP1A2CHRM2OPRM1
SCHEMBL23967443 0.83 ALDH1A1 (0.65) ALDH1A1TSHRCYP1A2CHRM2OPRM1
SCHEMBL2653818 0.83 ALDH1A1 (0.65) ALDH1A1TSHRCYP1A2CHRM2OPRM1
SCHEMBL30987468 0.83 ALDH1A1 (0.65) ALDH1A1TSHRCYP1A2CHRM2OPRM1

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
CN-1233180-A Treatment of the common cold or allergic rhinitis LILLY CO ELI (US) 1999-10-27 CN disclosed
US-5935992-A TREATMENT OF MIGRAINE ELI LILLY AND COMPANY (US) 1999-08-10 US disclosed