SCHEMBL25823972

SCHEMBL25823972

COc1cc(C(C)(C)C)ccc1N1CCNC[C@@H]1C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRPF1 P55201 3/20 0.42
BRD1 O95696 2/20 0.42
BRD4 O60885 1/20 0.42
BRPF3 Q9ULD4 1/20 0.42
HTR2C P28335 10/20 0.40
HTR2B P41595 8/20 0.40
RAD52 P43351 1/20 0.38
LATS1 O95835 1/20 0.38
HTR2A P28223 8/20 0.38
HTR6 P50406 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SPAST Q9UBP0 1/20 0.35

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
SCHEMBL22542060 0.83 BRPF1 (0.47) BRPF1BRD1BRD4BRPF3HTR2C
SCHEMBL22542057 0.83 BRPF1 (0.47) BRPF1BRD1BRD4BRPF3HTR2C
SCHEMBL21359240 0.82 HTR2C (0.47) BRPF1BRD1BRD4BRPF3HTR2C
SCHEMBL19709395 0.82 HTR3E (0.51) BRPF1BRD1BRD4BRPF3HTR2C
SCHEMBL30952461 0.82 HTR2C (0.47) BRPF1BRD1BRD4BRPF3HTR2C
SCHEMBL19709331 0.82 HTR2C (0.47) BRPF1BRD1BRD4BRPF3HTR2C
SCHEMBL21359242 0.82 HTR2C (0.47) BRPF1BRD1BRD4BRPF3HTR2C
SCHEMBL4196575 0.82 NR4A1 (0.46) BRPF1BRD1BRD4BRPF3HTR2C
SCHEMBL20884982 0.80 BRPF1 (0.42) BRPF1BRD1BRD4BRPF3HTR2C
SCHEMBL20883819 0.80 BRPF1 (0.42) BRPF1BRD1BRD4BRPF3HTR2C

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
WO-2023125944-A1 COMPOUND CONTAINING HETEROCYCLIC RING 正大天晴药业集团股份有限公司 2023-07-06 WO disclosed