SCHEMBL9027196

SCHEMBL9027196

CC1=C(C)N(O)C(=O)CN1Cc1c[nH]c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 2/20 0.49
▸ BCHE P06276 1/20 0.49
▸ HTR6 P50406 1/20 0.47
▸ LMNA P02545 3/20 0.46
▸ HTT P42858 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ DRD2 P14416 1/20 0.45
▸ DRD4 P21917 1/20 0.45
▸ DRD3 P35462 1/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ JAK2 O60674 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ HCRTR1 O43613 2/20 0.43
▸ HCRTR2 O43614 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
SCHEMBL30492135 0.79 HTR6 (0.51) CYP2D6BCHEHTR6LMNAHTT
SCHEMBL3120511 0.73 BCHE (0.52) CYP2D6BCHEHTR6LMNAHTT
SCHEMBL2754242 0.72 RAB9A (0.70) CYP2D6BCHEHTR6LMNAHTT
SCHEMBL5821824 0.72 RAB9A (0.62) KDM4ERAB9AALDH1A1MEN1KMT2A
SCHEMBL3996399 0.69 BCHE (0.55) CYP2D6BCHEHTR6LMNAHTT
SCHEMBL8563554 0.69 BCHE (0.57) CYP2D6BCHEHTR6LMNAHTT
SCHEMBL1667771 0.68 HPGD (0.48) CYP2D6BCHEHTR6LMNAHTT
SCHEMBL8872774 0.66 BCHE (0.73) CYP2D6BCHEHTR6LMNAHTT
SCHEMBL29413080 0.66 MEN1 (0.69) CYP2D6HTR6HTTKDM4EALDH1A1
SCHEMBL90504 0.66 MEN1 (0.69) CYP2D6HTR6HTTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0411150-B1 INDOLE DERIVATIVES, PREPARATION THEREOF, AND DRUG FOR PREVENTING AND TREATING NEPHRITIS CONTAINING SAME OTSUKA PHARMA CO LTD (JP) 1996-11-27 — — EP disclosed
US-5238938-A Nephrosis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-08-24 — — US disclosed
EP-0411150-A1 INDOLE DERIVATIVES, PREPARATION THEREOF, AND DRUG FOR PREVENTING AND TREATING NEPHRITIS CONTAINING SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-02-06 — — EP disclosed
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