SCHEMBL28802227

SCHEMBL28802227

O=C1c2ccccc2CC1(Cc1ccccc1)Cc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 1.00
LMNA P02545 2/20 1.00
HTT P42858 1/20 1.00
L3MBTL1 Q9Y468 1/20 1.00
DRD2 P14416 4/20 0.42
HTR2A P28223 4/20 0.42
HTR2C P28335 4/20 0.42
HTR2B P41595 4/20 0.42
SIGMAR1 Q99720 4/20 0.42
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
CSNK2A2 P19784 1/20 0.39

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
SCHEMBL5459276 0.83 NPSR1 (0.69) NPSR1LMNAHTTL3MBTL1DRD2
SCHEMBL11208493 0.79 NPSR1 (0.66) NPSR1LMNAHTTL3MBTL1DRD2
SCHEMBL3233569 0.79 NPSR1 (0.66) NPSR1LMNAHTTL3MBTL1DRD2
SCHEMBL9286065 0.79 LMNA (0.65) NPSR1LMNAHTTL3MBTL1HTR2A
Hydrochloric Acid SCHEMBL3233556 0.78 NPSR1 (0.64) NPSR1LMNAHTTL3MBTL1DRD2
SCHEMBL29448052 0.78 NPSR1 (0.64) NPSR1LMNAHTTL3MBTL1HTR2A
SCHEMBL6904284 0.78 LMNA (0.64) NPSR1LMNAHTTL3MBTL1DRD2
SCHEMBL15630925 0.78 LMNA (0.64) NPSR1LMNAHTTL3MBTL1HTR2A
SCHEMBL9172913 0.78 NPSR1 (0.64) NPSR1LMNAHTTL3MBTL1HTR2A
SCHEMBL13253339 0.72 NPSR1 (0.57) NPSR1LMNAHTTL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103086834-B Preparation method of biaryl indene compounds SHANGHAI RES INST CHEMICAL IND 2015-05-27 CN claimed
CN-103086834-A Preparation method of biaryl indene compounds SHANGHAI RES INST CHEMICAL IND 2013-05-08 CN claimed
CN-103086834-B Preparation method of biaryl indene compounds SHANGHAI RES INST CHEMICAL IND 2015-05-27 CN disclosed
CN-103086834-A Preparation method of biaryl indene compounds SHANGHAI RES INST CHEMICAL IND 2013-05-08 CN disclosed