SCHEMBL26051501

SCHEMBL26051501

NC[C@@H]1CCCCCNC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.37
HRH4 Q9H3N8 2/20 0.36
HRH3 Q9Y5N1 2/20 0.36
CPN1 P15169 1/20 0.36
CPB2 Q96IY4 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
ALDH1A1 P00352 1/20 0.35
BACE1 P56817 2/20 0.34
APLNR P35414 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
NOS2 P35228 1/20 0.33
SLC6A1 P30531 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRB2 P47870 1/20 0.33
SLC6A12 P48065 1/20 0.33
SLC6A11 P48066 1/20 0.33
SLC6A13 Q9NSD5 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
SCHEMBL22402217 1.00 CYP2D6 (0.37) CYP2D6HRH4HRH3CPN1CPB2
SCHEMBL1994939 0.98
SCHEMBL2386500 0.91
SCHEMBL1036463 0.91
SCHEMBL8212140 0.91
Hydrochloric Acid SCHEMBL8391928 0.88 HRH3 (0.41) CYP2D6HRH4HRH3CPN1CPB2
Hydrochloric Acid SCHEMBL8393278 0.88 HRH3 (0.41) CYP2D6HRH4HRH3CPN1CPB2
Hydrochloric Acid SCHEMBL4636136 0.88 HRH3 (0.41) CYP2D6HRH4HRH3CPN1CPB2
Hydrochloric Acid SCHEMBL4636408 0.88
SCHEMBL640611 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023164611-A1 MODULATORS OF MYC FAMILY PROTO-ONCOGENE PROTEIN NALO THERAPEUTICS (US) 2023-08-31 WO disclosed