SCHEMBL9199928

SCHEMBL9199928

COc1ccccc1-c1cc(C2CCN(Cc3ccccc3Cl)CC2)n[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.60
▸ KMT2A Q03164 4/20 0.60
▸ DRD2 P14416 3/20 0.51
▸ DRD4 P21917 3/20 0.51
▸ DRD3 P35462 3/20 0.51
▸ BCHE P06276 1/20 0.48
▸ ACHE P22303 1/20 0.48
▸ HTR7 P34969 3/20 0.47
▸ GAA P10253 1/20 0.46
▸ ATM Q13315 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ ALPL P05186 1/20 0.44
▸ ALPI P09923 1/20 0.44
▸ ALPG P10696 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ GNAI3 P08754 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.43

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
SCHEMBL1388432 0.87 DRD4 (0.54) MEN1KMT2ADRD2DRD4DRD3
SCHEMBL1388639 0.80 DRD2 (0.70) MEN1KMT2ADRD2DRD4DRD3
SCHEMBL1528409 0.80 HSD17B10 (0.60) MEN1KMT2AGAAALPLALDH1A1
SCHEMBL9202145 0.78 SIGMAR1 (0.55) MEN1KMT2ADRD2DRD4DRD3
SCHEMBL1388300 0.77 DRD2 (0.56) MEN1KMT2ADRD2DRD4DRD3
SCHEMBL9199936 0.76 HSD17B10 (0.44) MEN1KMT2ADRD2DRD4DRD3
SCHEMBL9195743 0.75 DRD2 (0.55) DRD2DRD4DRD3BCHETP53
SCHEMBL9202150 0.73 DRD2 (0.57) MEN1KMT2ADRD2DRD4DRD3
SCHEMBL1388610 0.72 DRD2 (0.56) KMT2ADRD2DRD4DRD3ACHE
SCHEMBL9195679 0.72 DRD2 (0.52) MEN1KMT2ADRD2DRD4DRD3

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
EP-0665833-A1 DOPAMINE RECEPTOR SUBTYPE LIGANDS MERCK SHARP & DOHME LTD. (GB) 1995-08-09 — — EP disclosed
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