SCHEMBL8877700

SCHEMBL8877700

O=C(NCCN1CC2CC(c3ccc([N+](=O)[O-])cc3)C2C1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
HPGD P15428 3/20 0.41
POLB P06746 2/20 0.41
HTT P42858 2/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
CCR3 P51677 1/20 0.41
ALDH1A1 P00352 4/20 0.40
HSP90AA1 P07900 1/20 0.40
PTPN1 P18031 1/20 0.40
PLD2 O14939 1/20 0.40
PLD1 Q13393 1/20 0.40
GAA P10253 1/20 0.40
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PKM P14618 1/20 0.38

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
SCHEMBL7781173 0.83 PLD1 (0.47) MAPTPOLBKMT2AMEN1PTPN1
SCHEMBL8875335 0.77 LMNA (0.53) MAPTHPGDKMT2AMEN1ALDH1A1
SCHEMBL7811687 0.76 CCR2 (0.46) HPGDPOLBHTTKMT2ACCR3
SCHEMBL7778614 0.76 POLB (0.65) MAPTHPGDPOLBHTTALDH1A1
SCHEMBL7781812 0.76 POLB (0.62) MAPTHPGDPOLBHTTKMT2A
SCHEMBL7781108 0.76 PLD1 (0.53) CCR3PLD2PLD1
SCHEMBL7071623 0.75 ALDH1A1 (0.51) KMT2AMEN1ALDH1A1
SCHEMBL7078784 0.74 MCHR1 (0.45) MAPTPOLBALDH1A1
SCHEMBL8989768 0.74 ALDH1A1 (0.49) ALDH1A1
SCHEMBL7778722 0.73 KDM1A (0.50) HPGDPLD1GAA

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
US-5616705-A N-substituted azabicycloheptane derivatives, their preparation and use BASF AKTIENGESELLSCHAFT (DE) 1997-04-01 US disclosed
EP-0740658-A1 N-SUBSTITUTED AZABICYCLOHEPTANE DERIVATIVES USED, FOR EXAMPLE, AS NEUROLEPTICS BASF AKTIENGESELLSCHAFT (DE) 1996-11-06 EP disclosed
WO-1995015312-A1 N-SUBSTITUTED AZABICYCLOHEPTANE DERIVATIVES USED, FOR EXAMPLE, AS NEUROLEPTICS BASF AKTIENGESELLSCHAFT (DE) 1995-06-08 WO disclosed