SCHEMBL7778614

SCHEMBL7778614

O=C(NCCCN1CC2CC(c3ccccc3)C2C1)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.65
ALDH1A1 P00352 3/20 0.55
HPGD P15428 3/20 0.55
SMN1; SMN2 Q16637 1/20 0.52
TP53 P04637 1/20 0.52
LMNA P02545 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
TMEM97 Q5BJF2 1/20 0.45
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HTT P42858 1/20 0.45
PKM P14618 1/20 0.44
MAPT P10636 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
SCHEMBL7781812 0.92 POLB (0.62) POLBALDH1A1HPGDSMN1; SMN2TP53
SCHEMBL7781191 0.86 KDM4E (0.52) ALDH1A1SMN1; SMN2TMEM97
SCHEMBL7779077 0.82 CCR3 (0.57) L3MBTL1
SCHEMBL7778722 0.80 KDM1A (0.50) HPGD
SCHEMBL8989765 0.79 SIGMAR1 (0.58) ALDH1A1SMN1; SMN2TMEM97
SCHEMBL7781120 0.79 CCR3 (0.53) ALDH1A1SMN1; SMN2ADRA1DADRA1AADRA1B
SCHEMBL8989753 0.79 CCR3 (0.50) ALDH1A1SMN1; SMN2ADRA1DADRA1AADRA1B
SCHEMBL3872252 0.78 POLB (0.91) POLBALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL8877700 0.76 MAPT (0.43) POLBALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL7774094 0.75 DRD2 (0.46) ADRA2AADRA1A

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
EP-1133293-A1 USE OF N-SUBSTITUTED AZABICYCLOALKANE DERIVATIVES FOR TREATING DISEASES OF THE CENTRAL NERVOUS SYSTEM BASF AKTIENGESELLSCHAFT (DE) 2001-09-19 EP disclosed
WO-2000030639-A1 USE OF N-SUBSTITUTED AZABICYCLOALKANE DERIVATIVES FOR TREATING DISEASES OF THE CENTRAL NERVOUS SYSTEM BASF AKTIENGESELLSCHAFT (DE) 2000-06-02 WO disclosed
EP-0646110-B1 N-SUBSTITUTED 3-AZABICYCLO[3.2.0]HEPTANE DERIVATIVES USEFUL AS NEUROLEPTIC AGENTS BASF AG (DE) 1996-10-23 EP disclosed
US-5521209-A N-substituted azabicyclo[3.2.0]heptane derivatives as neuroleptics, the preparation and use thereof BASF AKTIENGESELLSCHAFT (DE) 1996-05-28 US disclosed
EP-0646110-A1 N-SUBSTITUED 3-AZABICYCLO 3.2.0]HEPTANE DERIVATIVES USEFUL AS NEUROLEPTIC AGENTS ETC. BASF AG (DE) 1995-04-05 EP disclosed
WO-1994000431-A1 N-SUBSTITUED 3-AZABICYCLO[3.2.0]HEPTANE DERIVATIVES USEFUL AS NEUROLEPTIC AGENTS ETC. BASF AKTIENGESELLSCHAFT (DE) 1994-01-06 WO disclosed