SCHEMBL14334288

SCHEMBL14334288

CC(C)(C)OC(=O)N1CCCN(C2CCN(C(=O)OCc3ccccc3)CC2)C(=O)C1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
HTT P42858 1/20 0.49
CYP2C19 P33261 1/20 0.48
TP53 P04637 1/20 0.46
STS P08842 1/20 0.46
GPR119 Q8TDV5 2/20 0.45
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
PARP1 P09874 1/20 0.44

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
SCHEMBL12526593 0.94 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL30368837 0.94 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL30841381 0.88 USP30 (0.51) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL3069766 0.88 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL14334908 0.86 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL23163823 0.85 PARP1 (0.47) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL28974757 0.85 PARP1 (0.47) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL18756737 0.84 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL16847349 0.83 MEN1 (0.57) SMN1; SMN2NPC1RAB9AHTTCYP2C19
SCHEMBL14334656 0.81 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9AHTTCYP2C19

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
WO-2012176123-A1 3 - IMIDAZOLYL- INDOLES FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2012-12-27 WO disclosed
WO-2012176123-A1 3 - IMIDAZOLYL- INDOLES FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2012-12-27 WO disclosed