SCHEMBL21483083

SCHEMBL21483083

C[C@H]1C[C@@H](I)CN(Cc2ccccc2)C1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.57
HRH4 Q9H3N8 1/20 0.57
ACHE P22303 1/20 0.53
FUCA1 P04066 2/20 0.49
SIGMAR1 Q99720 1/20 0.46
MC4R P32245 1/20 0.43
MAPT P10636 1/20 0.43
S1PR1 P21453 1/20 0.43
S1PR5 Q9H228 1/20 0.43
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
GBA1 P04062 1/20 0.42

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
SCHEMBL16525718 1.00 HRH3 (0.57) HRH3HRH4ACHEFUCA1SIGMAR1
SCHEMBL17266469 0.88 HRH3 (0.72) HRH3HRH4ACHEFUCA1SIGMAR1
SCHEMBL4094332 0.88 HRH3 (0.72) HRH3HRH4ACHEFUCA1SIGMAR1
SCHEMBL4094335 0.88 HRH3 (0.72) HRH3HRH4ACHEFUCA1SIGMAR1
SCHEMBL12050627 0.88 HRH3 (0.72) HRH3HRH4ACHEFUCA1SIGMAR1
SCHEMBL4094330 0.88 HRH3 (0.72) HRH3HRH4ACHEFUCA1SIGMAR1
SCHEMBL12205371 0.84 ACHE (0.66) HRH3HRH4ACHEFUCA1SIGMAR1
SCHEMBL14742553 0.84 FUCA1 (0.60) ACHEFUCA1SIGMAR1MC4RS1PR1
SCHEMBL25741981 0.81 FUCA1 (0.50) ACHEFUCA1SIGMAR1S1PR1S1PR5
SCHEMBL13291911 0.81 ACHE (0.58) HRH3HRH4ACHEFUCA1SIGMAR1

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-2019197842-A1 BCL6 INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2019-10-17 WO disclosed