SCHEMBL12640684

SCHEMBL12640684

Brc1ccc([C@H]2CCNC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.66
JAK3 P52333 1/20 0.49
SLC18A3 Q16572 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
HTR2C P28335 1/20 0.44

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
SCHEMBL1002475 1.00 HTR3A (0.66) HTR3AJAK3SLC18A3SIGMAR1HTR2C
Hydrochloric Acid SCHEMBL15300834 0.98 HTR3A (0.63) HTR3AJAK3SLC18A3SIGMAR1HTR2C
SCHEMBL83831 0.90 HTR3A (0.53) HTR3A
SCHEMBL15777910 0.90 HTR3A (0.53) HTR3A
SCHEMBL998429 0.90 HTR3A (0.53) HTR3A
Hydrochloric Acid SCHEMBL29969490 0.88 HTR3A (0.52) HTR3A
Hydrochloric Acid SCHEMBL19459257 0.88 HTR3A (0.52) HTR3A
Hydrochloric Acid SCHEMBL19459131 0.88 HTR3A (0.52) HTR3A
SCHEMBL181015 0.87 SLC18A3 (0.61) HTR3ASLC18A3SIGMAR1HTR2C
Formic Acid Methyl Ester SCHEMBL27957967 0.85 HTR3A (0.50) HTR3AJAK3HTR2C

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 6 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
CN-102036955-B Hydroxamate-based inhibitors of deacetylase B NOVARTIS AG 2013-03-27 CN disclosed
WO-2011076678-A1 SUBSTITUTED BENZAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2011-06-30 WO disclosed
CN-102036955-A Hydroxamate-based inhibitors of deacetylase B NOVARTIS AG 2011-04-27 CN disclosed