SCHEMBL27725541

SCHEMBL27725541

CCOC(=O)c1ccc(C2CCNCC2)c(OC)c1C

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLAT P00750 2/20 0.43
HTR2C P28335 4/20 0.40
HTR6 P50406 1/20 0.40
TSHR P16473 1/20 0.39
GAA P10253 2/20 0.39
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
ALOX15 P16050 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL30798310 0.81 HTR2C (0.43) PLATHTR2CHTR6TSHRGAA
SCHEMBL24718025 0.81 HTR2C (0.43) PLATHTR2CHTR6TSHRGAA
SCHEMBL3676421 0.78 TSHR (0.56) PLATHTR2CTSHRALDH1A1HSD17B10
SCHEMBL5584483 0.75 HTR2C (0.60) HTR2CHTR6SLC6A2SLC6A4
SCHEMBL5362021 0.74 CA12 (0.46) TSHRGAAALOX15KDM4EALDH1A1
SCHEMBL2578334 0.73 HTR2C (0.39) HTR2CHTR6SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL28470155 0.73 CA12 (0.47) PLATHTR2CALOX15KDM4EALDH1A1
Hydrochloric Acid SCHEMBL30736680 0.72 HTR2C (0.46) PLATHTR2CHTR6KDM4E
SCHEMBL7437362 0.72 LMNA (0.55) TSHRGAALMNA
SCHEMBL29003855 0.72 HTR2C (0.51) HTR2CHTR6SLC6A2SLC6A4

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
CN-101321726-A Novel fused pyrrole derivative DAINIPPON SUMITOMO PHARMA CO (JP) 2008-12-10 CN disclosed