SCHEMBL8786936

SCHEMBL8786936

O=C(NC(=O)c1ccccc1)NC1CCN(Cc2ccccc2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 3/20 1.00
▸ KMT2A Q03164 4/20 0.68
▸ DRD2 P14416 1/20 0.68
▸ DRD3 P35462 1/20 0.68
▸ SIGMAR1 Q99720 4/20 0.67
▸ TMEM97 Q5BJF2 2/20 0.67
▸ SLC6A12 P48065 1/20 0.67
▸ MCHR1 Q99705 1/20 0.67
▸ CYP1A2 P05177 1/20 0.67
▸ CYP3A4 P08684 1/20 0.67
▸ CYP2D6 P10635 1/20 0.67
▸ CYP2C9 P11712 1/20 0.67
▸ TSHR P16473 1/20 0.67
▸ MAPK1 P28482 1/20 0.67
▸ CYP2C19 P33261 1/20 0.67
▸ ATM Q13315 1/20 0.66
▸ GPR55 Q9Y2T6 1/20 0.66
▸ MEN1 O00255 2/20 0.65
▸ KCNH2 Q12809 1/20 0.65
▸ LMNA P02545 1/20 0.64

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
SCHEMBL9591654 0.92 DRD4 (0.84) DRD4KMT2ADRD2DRD3SIGMAR1
SCHEMBL9592718 0.92 DRD4 (0.84) DRD4KMT2ADRD2DRD3SIGMAR1
SCHEMBL9592321 0.90 DRD4 (0.80) DRD4KMT2ADRD2DRD3SIGMAR1
SCHEMBL694949 0.89 SIGMAR1 (0.82) DRD4KMT2ADRD2SIGMAR1TMEM97
SCHEMBL9593089 0.89 DRD4 (0.79) DRD4KMT2ADRD2DRD3SIGMAR1
SCHEMBL9592422 0.89 DRD4 (0.79) DRD4KMT2ASIGMAR1TMEM97SLC6A12
SCHEMBL9592418 0.89 DRD4 (0.79) DRD4KMT2ADRD2DRD3SIGMAR1
SCHEMBL9592555 0.89 DRD4 (0.79) DRD4KMT2ADRD2DRD3SIGMAR1
SCHEMBL9591760 0.89 KMT2A (0.83) DRD4KMT2ADRD2DRD3SIGMAR1
SCHEMBL9593263 0.89 DRD4 (0.79) DRD4KMT2ADRD2DRD3SIGMAR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0719264-B1 IMIDAZOLONE AND OXAZOLONE DERIVATIVES AS DOPAMINE ANTAGONISTS MERCK SHARP & DOHME (GB) 1997-12-29 — — EP disclosed
US-5698573-A Imidazolone and oxazolone derivatives as dopamine antagonists MERCK, SHARP & DOHME, LTD. (GB) 1997-12-16 — — US disclosed
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