SCHEMBL3256239

SCHEMBL3256239

CC(C)(C)OC(=O)NC1CCN(c2cccc([N+](=O)[O-])c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.52
MAPT P10636 5/20 0.47
ALOX5 P09917 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CKS1B P61024 1/20 0.47
SKP1 P63208 1/20 0.47
SKP2 Q13309 1/20 0.47
SUV39H2 Q9H5I1 1/20 0.46
PKM P14618 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
GPR119 Q8TDV5 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
ACHE P22303 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ENPP2 Q13822 1/20 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
SCHEMBL27225075 0.88 DRD2 (0.62) DRD2ENPP2
SCHEMBL30883414 0.88 DRD2 (0.62) DRD2ENPP2
SCHEMBL1815044 0.86 MAPT (0.61) DRD2MAPTSMN1; SMN2CKS1BSKP1
SCHEMBL26452282 0.83 CKS1B (0.51) DRD2CKS1BSKP1SKP2SUV39H2
SCHEMBL32665304 0.83 CKS1B (0.51) DRD2CKS1BSKP1SKP2SUV39H2
SCHEMBL6812295 0.83 SIGMAR1 (0.53) MAPTNPC1RAB9ASMN1; SMN2PKM
SCHEMBL13419583 0.83 ALDH1A1 (0.58) DRD2MAPTSMN1; SMN2SUV39H2ALDH1A1
SCHEMBL15670610 0.82 SIGMAR1 (0.65) DRD2MAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL904006 0.82 NPY5R (0.53) DRD2CKS1BSKP1SKP2SUV39H2
SCHEMBL30930945 0.82 NPY5R (0.53) DRD2CKS1BSKP1SKP2SUV39H2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024059808-A1 WEE1 INHIBITORS AND METHODS FOR TREATING CANCER RECURIUM IP HOLDINGS, LLC (US) 2024-03-21 WO disclosed
EP-1371646-B1 ARYL-SUBSTITUTED ALICYCLIC COMPOUND AND MEDICAL COMPOSITION COMPRISING THE SAME DAINIPPON SUMITOMO PHARMA CO (JP) 2010-05-19 EP disclosed
EP-1371646-B1 ARYL-SUBSTITUTED ALICYCLIC COMPOUND AND MEDICAL COMPOSITION COMPRISING THE SAME DAINIPPON SUMITOMO PHARMA CO (JP) 2010-05-19 EP disclosed
US-7176199-B2 Aryl-substituted alicyclic compound and medical composition comprising the same DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2007-02-13 US disclosed
US-7176199-B2 Aryl-substituted alicyclic compound and medical composition comprising the same DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2007-02-13 US disclosed
EP-1371646-A1 ARYL-SUBSTITUTED ALICYCLIC COMPOUND AND MEDICAL COMPOSITION COMPRISING THE SAME Dainippon Pharmaceutical Co., Ltd. (JP) 2003-12-17 EP disclosed