SCHEMBL8938600

SCHEMBL8938600

O=C(c1nc2ccccc2s1)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CCCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
HTR1A P08908 2/20 0.43
DRD2 P14416 2/20 0.43
HTR2A P28223 2/20 0.43
SLC6A4 P31645 2/20 0.43
HTR7 P34969 2/20 0.43
F2 P00734 1/20 0.43
SLC6A2 P23975 1/20 0.42
HTR2C P28335 1/20 0.42
HRH1 P35367 1/20 0.42
HPGD P15428 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41

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
SCHEMBL8938625 0.88 MEN1 (0.40) MEN1KMT2ANPC1RAB9AF2
SCHEMBL8938536 0.87 MAPT (0.41) F2MAPTHCRTR1HCRTR2
SCHEMBL8938499 0.85 MEN1 (0.48) MEN1KMT2ANPC1RAB9AF2
SCHEMBL8938389 0.83 PREP (0.59) KMT2ARAB9AALDH1A1MAPT
SCHEMBL8938677 0.82 MEN1 (0.43) MEN1KMT2ANPC1RAB9AF2
SCHEMBL8938617 0.81 DAGLA (0.49) MEN1KMT2ANPC1RAB9AF2
SCHEMBL8938620 0.81 PLA2G4A (0.48) MEN1KMT2ANPC1RAB9AF2
SCHEMBL8938580 0.81 MEN1 (0.50) MEN1KMT2ANPC1RAB9AF2
SCHEMBL8938439 0.80 MEN1 (0.50) MEN1KMT2ANPC1RAB9APKM
SCHEMBL8938534 0.80 DAGLA (0.49) MEN1KMT2ANPC1RAB9AF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5547978-A ENDOPEPTIDASE INHIBITORS MEIJI SEIKA KAISHA, LTD. (JP) 1996-08-20 US claimed
JP-6227980-A None JP disclosed
US-5547978-A ENDOPEPTIDASE INHIBITORS MEIJI SEIKA KAISHA, LTD. (JP) 1996-08-20 US disclosed
JP-H06227980-A PYRROLIDIN-2-YLCARBONYL HETEROCYCLIC COMPOUND DERIVATIVE MEIJI SEIKA KAISHA LTD 1994-08-16 JP disclosed