SCHEMBL8043322

SCHEMBL8043322

Cc1ccc([N+](=O)[O-])c(N)c1CN1CCC2(CCCCC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 2/20 0.36
HTR1A P08908 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.35
MAPK1 P28482 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
HTR7 P34969 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
RECQL P46063 1/20 0.35
HTT P42858 1/20 0.34

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
SCHEMBL8040471 0.87 MEN1 (0.49) MEN1KMT2AHPGDRAB9ACRHBP
SCHEMBL8040498 0.87 MEN1 (0.49) MEN1KMT2AHPGDRAB9ACRHBP
SCHEMBL8037120 0.86 MEN1 (0.47) MEN1KMT2AHPGDRAB9ACRHBP
SCHEMBL8038946 0.81 MAPT (0.46) L3MBTL1MAPK1ALDH1A1KDM4EMAPT
SCHEMBL7567294 0.80 ALDH1A1 (0.47) MEN1KMT2ARAB9AL3MBTL1ALDH1A1
SCHEMBL8040494 0.79 ACHE (0.55) MEN1KMT2ARAB9AMCOLN3L3MBTL1
SCHEMBL8027126 0.74 RAB9A (0.45) MEN1KMT2ARAB9AMCOLN3L3MBTL1
SCHEMBL8037464 0.72 HRH3 (0.45) MEN1KMT2ACRHBPCRHR2MCOLN3
SCHEMBL8027121 0.72 MEN1 (0.56) MEN1KMT2AL3MBTL1MAPK1ALDH1A1
SCHEMBL8038941 0.71 ALDH1A1 (0.47) MEN1KMT2AHPGDCRHBPCRHR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6110911-A ADMINISTERING NEUROPROTECTANT/ANTICONVULSANT TO PATIENT WARNER-LAMBERT COMPANY (US) 2000-08-29 US disclosed