SCHEMBL25329786

SCHEMBL25329786

CC1(C)CNCCC1c1ccc(O)cc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 14/20 0.43
TMEM97 Q5BJF2 1/20 0.36
QDPR P09417 1/20 0.36
ESR1 P03372 5/20 0.36
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL10194862 0.84 MEN1 (0.38) TMEM97SLC6A2SLC6A4SLC6A3
SCHEMBL19200356 0.83 ESR2 (0.41) ESR2TMEM97QDPRESR1SLC6A2
SCHEMBL2160044 0.82 KDM1A (0.44) SLC6A2SLC6A4SLC6A3
SCHEMBL2159199 0.82 HTR3A (0.49) SLC6A2SLC6A4SLC6A3
SCHEMBL13575754 0.82 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3
SCHEMBL17948228 0.81 SLC18A3 (0.48)
SCHEMBL15317743 0.79 HTR2C (0.38) SLC6A2SLC6A4SLC6A3
SCHEMBL16915218 0.79 DRD2 (0.42) TMEM97
SCHEMBL16874839 0.79 TLR9 (0.40) ESR2QDPRESR1SLC6A2SLC6A4
SCHEMBL4890404 0.78 HTR2C (0.56) TMEM97SLC6A2SLC6A4SLC6A3

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
EP-4466260-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER Astrazeneca AB (SE) 2024-11-27 EP disclosed
CN-118574821-A Compounds and their use in the treatment of cancer 阿斯利康(瑞典)有限公司 2024-08-30 CN disclosed
WO-2023139199-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2023-07-27 WO disclosed
WO-2023139199-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2023-07-27 WO disclosed