SCHEMBL3455817

SCHEMBL3455817

CCCC(=O)N1CCc2c(n[nH]c2-c2nc3cc(C)c(C)cc3[nH]2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.38
RAB9A P51151 5/20 0.38
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 4/20 0.38
MAPT P10636 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
USP2 O75604 2/20 0.38
TP53 P04637 2/20 0.38
POLB P06746 2/20 0.38
HSD17B10 Q99714 2/20 0.38
HPSE Q9Y251 1/20 0.38
NPSR1 Q6W5P4 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TRPV1 Q8NER1 2/20 0.35
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL3455320 0.94 TRPV1 (0.38) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL3457565 0.87 KDM4E (0.38) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL3455946 0.87 NPC1 (0.38) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL14032049 0.87 GPBAR1 (0.42) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL14031952 0.87 HPSE (0.41) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL3456150 0.87 NPC1 (0.37) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL3456885 0.85 NPC1 (0.40) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL14032052 0.84 KMT2A (0.44) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL3457585 0.84 HPSE (0.39) NPC1RAB9AKDM4EALDH1A1HPGD
SCHEMBL3455651 0.84 HPSE (0.39) NPC1RAB9AKDM4EALDH1A1HPGD

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
EP-2251340-A1 Substituted tetrahydro-1h-pyrazolo[3,4-c] pyridines, compositions containing same and use thereof Aventis Pharma S.A. (FR) 2010-11-17 EP disclosed
EP-2251340-A1 Substituted tetrahydro-1h-pyrazolo[3,4-c] pyridines, compositions containing same and use thereof Aventis Pharma S.A. (FR) 2010-11-17 EP disclosed
US-7435820-B2 Substituted tetrahydro-1H-pyrazolo [3,4-c]pyridines compositions comprising them, and use AVENTIS PHARMA S.A. (FR) 2008-10-14 US disclosed
US-7435820-B2 Substituted tetrahydro-1H-pyrazolo [3,4-c]pyridines compositions comprising them, and use AVENTIS PHARMA S.A. (FR) 2008-10-14 US disclosed