SCHEMBL5201455

SCHEMBL5201455

CCOC(=O)C(CO)CCCN

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 7/20 0.62
CYP1A2 P05177 2/20 0.47
ALOX15 P16050 1/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL24428616 0.88 CPB2 (0.51) CPB2CYP1A2ALOX15MEN1KMT2A
SCHEMBL9256335 0.87 CPB2 (0.60) CPB2CYP1A2ALOX15CA1CA2
SCHEMBL14747695 0.86 CPB2 (0.64) CPB2CYP1A2ALOX15CA1CA2
SCHEMBL3176263 0.84 CA2 (0.52) CPB2CA1CA2MEN1KMT2A
SCHEMBL5000143 0.84 CPB2 (0.47) CPB2ALOX15CA1CA2MEN1
SCHEMBL3845206 0.82 CPB2 (0.50) CPB2CA1CA2MEN1KMT2A
SCHEMBL15899446 0.81 CPB2 (0.58) CPB2CYP1A2ALOX15CA1CA2
SCHEMBL277442 0.81 CPB2 (0.53) CPB2CA1CA2MEN1KMT2A
SCHEMBL15033665 0.81 CPB2 (0.45) CPB2CYP1A2ALOX15CA1CA2
SCHEMBL319980 0.81 CPB2 (0.53) CPB2CA1CA2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105992763-A Neprilysin inhibitors 施万生物制药研发IP有限责任公司 2016-10-05 CN disclosed
EP-0887346-B1 N-Phenyl-alkylsulfonamide derivatives, their preparation and their use as alpha1A/1L adrenoceptor agonists HOFFMANN LA ROCHE (CH) 2007-12-12 EP disclosed
US-6057349-A ALPHA.SUB.1A/1L AGONISTS USED IN THE TREATMENT OF VARIOUS DISEASE STATES SUCH AS URINARY INCONTINENCE, NASAL CONGESTION, PRIAPISM, DEPRESSION, ANXIETY, DEMENTIA, SENILITY, ALZHEIMER'S, DEFICIENCIES IN ATTENTIVENESS AND COGNITION, AND F. HOFFMAN LA ROCHE AG (CH) 2000-05-02 US disclosed
US-5952362-A INHIBITOR OF GLYCOGEN PHOSPHORYLASE ENZYMETIC ACTIVITY AND GLUCOSE ACITIVITY SYNTEX (U.S.A) INC. (US) 1999-09-14 US disclosed
EP-0887346-A2 Phenyl-and aminophenyl-alkylsulfonamide and urea derivatives, their preparation and their use as alpha1A/1L adrenoceptor agonists F. HOFFMANN-LA ROCHE AG (CH) 1998-12-30 EP disclosed