SCHEMBL2936685

SCHEMBL2936685

CC(=O)NCCCc1ccc(N2CC(=O)NS2(=O)=O)c(O)c1.O=C1CN(c2ccc(CCCNC(=O)c3ccc(F)cc3)cc2O)S(=O)(=O)N1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
LIPG Q9Y5X9 4/20 0.42
PTPN1 P18031 3/20 0.41
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
NAMPT P43490 2/20 0.38
LIPC P11150 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
ESRRG P62508 1/20 0.37
CYP2D6 P10635 1/20 0.37
CHRM1 P11229 1/20 0.37
HTR2A P28223 1/20 0.37
MCHR1 Q99705 1/20 0.37
HTR7 P34969 1/20 0.37

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
SCHEMBL3918932 0.96 NPC1 (0.47) NPC1RAB9ALIPGPTPN1ALDH1A1
SCHEMBL3213632 0.90 ALDH1A1 (0.47) NPC1RAB9APTPN1ALDH1A1LMNA
SCHEMBL3224621 0.90 PTPN1 (0.47) LIPGPTPN1MTNR1AMTNR1BALDH1A1
SCHEMBL3224733 0.89 NPC1 (0.39) NPC1RAB9ALIPGPTPN1ALDH1A1
SCHEMBL4557598 0.87 NPC1 (0.49) NPC1RAB9APTPN1ALDH1A1LMNA
SCHEMBL3218066 0.84 KDM4E (0.52) LIPGPTPN1MTNR1AMTNR1BALDH1A1
SCHEMBL4782790 0.82 MEN1 (0.42) NPC1RAB9ALIPGPTPN1NAMPT
SCHEMBL3224729 0.81 PTPN1 (0.37) LIPGPTPN1ALDH1A1NAMPT
SCHEMBL3205299 0.81 MEN1 (0.48) RAB9ALIPGPTPN1ALDH1A1NAMPT
SCHEMBL2933875 0.80 PTPN1 (0.45) LIPGPTPN1MTNR1AMTNR1BLIPC

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-2227245-A2 COMBINATION OF PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND HUMAN GROWTH HORMONE FOR THE TREATMENT OF MUSCLE ATROPHY AND RELATED DISORDERS Novartis AG (CH) 2010-09-15 EP disclosed
WO-2009068689-A2 COMBINATION OF PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND HUMAN GROWTH HORMONE FOR THE TREATMENT OF MUSCLE ATROPHY AND RELATED DISORDERS NOVARTIS AG (CH) 2009-06-04 WO disclosed