SCHEMBL14035403

SCHEMBL14035403

C[C@@H]1CN(C(C(=O)O)c2ccccc2)CCN1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.54
GAA P10253 1/20 0.53
KDM4E B2RXH2 1/20 0.48
OPRD1 P41143 6/20 0.42
SLC6A9 P48067 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HRH4 Q9H3N8 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL4099373 1.00 LMNA (0.54) LMNAGAAKDM4EOPRD1SLC6A9
SCHEMBL4095319 1.00 LMNA (0.54) LMNAGAAKDM4EOPRD1SLC6A9
SCHEMBL23599619 0.87 HRH3 (0.47) LMNAGAAKDM4EHRH3
SCHEMBL4094064 0.86 OPRD1 (0.44) LMNAGAAKDM4EOPRD1SLC6A9
SCHEMBL4099362 0.86 OPRD1 (0.44) LMNAGAAKDM4EOPRD1SLC6A9
SCHEMBL13724540 0.84 SLC6A2 (0.50) LMNAGAAKDM4EOPRD1ALDH1A1
SCHEMBL13724968 0.84 SLC6A2 (0.50) LMNAGAAKDM4EOPRD1ALDH1A1
SCHEMBL2537196 0.80 MEN1 (0.58) OPRD1SLC6A9MEN1KMT2ASLC6A3
SCHEMBL4146000 0.80 MEN1 (0.58) OPRD1SLC6A9MEN1KMT2ASLC6A3
SCHEMBL2315253 0.80 MEN1 (0.58) OPRD1SLC6A9MEN1KMT2ASLC6A3

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
WO-2008134036-A1 ALPHA-SUBSTITUTED ARYLMETHYL PIPERAZINE PYRAZOLO[1,5-α]PYRIMIDINE AMIDE DERIVATIVES PANACOS PHARMACEUTICALS, INC. (US) 2008-11-06 WO disclosed