SCHEMBL28049599

SCHEMBL28049599

O=C(O)C1(CCc2ccccc2)CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.44
SLC6A4 P31645 4/20 0.44
SLC6A3 Q01959 4/20 0.44
SIGMAR1 Q99720 2/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
OPRM1 P35372 2/20 0.40
HSD11B1 P28845 1/20 0.40
KEAP1 Q14145 1/20 0.40
CYP2D6 P10635 1/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 1/20 0.39
DPP9 Q86TI2 1/20 0.39

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
SCHEMBL21826552 0.88 KEAP1 (0.47) SLC6A3KMT2AMEN1ALDH1A1OPRM1
SCHEMBL27137776 0.87 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3SIGMAR1KMT2A
SCHEMBL7067721 0.86 MME (0.46) OPRM1NPC1POLB
Hydrochloric Acid SCHEMBL27151922 0.86 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3SIGMAR1KMT2A
SCHEMBL28029681 0.85 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3OPRM1
SCHEMBL18440724 0.84 KEAP1 (0.44) SLC6A3KMT2AMEN1ALDH1A1CYP2C19
SCHEMBL20493250 0.83 OPRM1 (0.43) SLC6A2SLC6A4SLC6A3SIGMAR1KMT2A
SCHEMBL17451241 0.83 CYP2C19 (0.46) SLC6A3KMT2AMEN1CYP2C19HSD11B1
SCHEMBL1919144 0.83 SLC6A2 (0.56) SLC6A2SLC6A4SLC6A3KMT2AMEN1
SCHEMBL1919601 0.81 MEN1 (0.61) KMT2AMEN1ALDH1A1OPRM1NPC1

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
CN-105263490-B Substituted triazolopyridines and methods of use 基因泰克公司 2018-05-22 CN disclosed
CN-105263490-A Substituted triazolopyridines and methods of use GENENTECH INC 2016-01-20 CN disclosed