SCHEMBL30839280

SCHEMBL30839280

Clc1ccc2c(c1)CCCCN2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
MAPT P10636 2/20 0.49
DRD4 P21917 3/20 0.48
DRD2 P14416 1/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
HTR2A P28223 3/20 0.46
HTR2C P28335 3/20 0.46
HTR2B P41595 3/20 0.46
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
GAA P10253 1/20 0.45
THRB P10828 1/20 0.45
ALOX15 P16050 1/20 0.45
CASP1 P29466 1/20 0.45
HTT P42858 1/20 0.45
CASP7 P55210 1/20 0.45

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
SCHEMBL10122766 1.00 KDM4E (0.49) KDM4EMAPTDRD4DRD2CA12
SCHEMBL1091532 0.94 MAPT (0.54) KDM4EMAPTDRD4DRD2CA12
SCHEMBL154428 0.86 DRD4 (0.64) KDM4EMAPTDRD4DRD2HTR2A
SCHEMBL25058873 0.85 HTR2A (0.46) KDM4EMAPTCA12CA1CA2
Bromide SCHEMBL949153 0.84 DRD4 (0.62) KDM4EMAPTDRD4DRD2HTR2A
SCHEMBL6247150 0.81 DRD2 (0.75) KDM4EMAPTDRD4DRD2CA12
Bromide SCHEMBL3182004 0.79 DRD2 (0.72) KDM4EMAPTDRD4DRD2CA12
SCHEMBL3873031 0.78 HTR2A (0.47) KDM4EMAPTCA12CA1CA2
SCHEMBL30853463 0.78 HTR2A (0.47) KDM4EMAPTCA12CA1CA2
Hydrochloric Acid SCHEMBL2334738 0.77 HTR2A (0.46) KDM4EMAPTCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119310215-B Method for detecting impurity content in tolvaptan sodium phosphate freeze-dried powder injection 珠海前列药业有限公司 2025-03-14 CN claimed
CN-119310215-A Method for detecting impurity content in tolvaptan sodium phosphate freeze-dried powder injection 珠海前列药业有限公司 2025-01-14 CN claimed
CN-119310215-B Method for detecting impurity content in tolvaptan sodium phosphate freeze-dried powder injection 珠海前列药业有限公司 2025-03-14 CN disclosed
CN-119310215-A Method for detecting impurity content in tolvaptan sodium phosphate freeze-dried powder injection 珠海前列药业有限公司 2025-01-14 CN disclosed
CN-117756717-A Tolvaptan intermediate and preparation method of tollvaptan 广州市桐晖药业有限公司 2024-03-26 CN disclosed