SCHEMBL9350757

SCHEMBL9350757

NCC1(c2ccc(CC(=O)O)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.55
MAOB P27338 1/20 0.55
TAAR1 Q96RJ0 1/20 0.55
DPP4 P27487 1/20 0.47
CA2 P00918 1/20 0.47
CAMK2A Q9UQM7 1/20 0.47
AKR1B1 P15121 1/20 0.45
SLC6A3 Q01959 6/20 0.45
SLC6A4 P31645 5/20 0.45
SLC6A2 P23975 2/20 0.45
ABCC4 O15439 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
PTGS1 P23219 1/20 0.44
HTT P42858 1/20 0.44
ANPEP P15144 1/20 0.41
ENPEP Q07075 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 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
SCHEMBL9141660 0.80 CYP4F2 (0.50) MAOAMAOBTAAR1DPP4SLC6A3
SCHEMBL17316474 0.76 CA2 (0.52) CA2CAMK2AAKR1B1ABCC4LMNA
SCHEMBL29268222 0.74 CA2 (0.50) CA2CAMK2AAKR1B1ABCC4LMNA
SCHEMBL17316590 0.74 CA2 (0.50) CA2CAMK2AAKR1B1ABCC4LMNA
SCHEMBL69614 0.73 CA2 (0.79) CA2CAMK2AAKR1B1ABCC4LMNA
SCHEMBL9139686 0.72 ALDH1A1 (0.49) CA2CAMK2AAKR1B1ABCC4LMNA
SCHEMBL9143026 0.72 ALDH1A1 (0.44) CA2CAMK2AAKR1B1ABCC4LMNA
SCHEMBL1492704 0.72 MAOB (1.00) MAOAMAOBTAAR1DPP4SLC6A3
SCHEMBL933080 0.72 CA2 (0.62) CA2CAMK2AAKR1B1ABCC4LMNA
SCHEMBL9250332 0.71 CA2 (0.47) CA2CAMK2AAKR1B1ABCC4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0472449-B1 Substituted sulfonamides, processes for their preparation and medicines containing them LIPHA (FR) 1994-09-14 EP disclosed
EP-0472449-A2 Substituted sulfonamides, processes for their preparation and medicines containing them LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1992-02-26 EP disclosed