SCHEMBL8586155

SCHEMBL8586155

CC(=O)Nc1cc(C2CCNCC2)c[nH]1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 2/20 0.45
CDK1 P06493 1/20 0.39
CDK5 Q00535 1/20 0.39
SMYD3 Q9H7B4 1/20 0.39
QDPR P09417 1/20 0.38
P2RY14 Q15391 4/20 0.38
TLR9 Q9NR96 2/20 0.38
TLR8 Q9NR97 2/20 0.38
TLR7 Q9NYK1 2/20 0.38
NAMPT P43490 1/20 0.37
HTR2C P28335 3/20 0.37
P2RX7 Q99572 1/20 0.36
SLC18A3 Q16572 1/20 0.36
SIGMAR1 Q99720 1/20 0.36

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
SCHEMBL8584756 0.82 HTR1D (0.51) HTR1FQDPRSLC18A3
SCHEMBL8585459 0.77 HTR1F (0.53) HTR1FP2RY14
SCHEMBL8584823 0.75 P2RY14 (0.41) HTR1FCDK1CDK5P2RY14
SCHEMBL8586465 0.75 HSD17B10 (0.46) HTR1F
SCHEMBL8583266 0.75 RAB9A (0.44) HTR1F
SCHEMBL10127506 0.73 NAMPT (0.59) NAMPTSLC18A3
SCHEMBL4098389 0.72 HTR2C (0.54) HTR2C
SCHEMBL12975618 0.71 GSK3B (0.42) HTR1FP2RY14TLR9TLR8TLR7
Hydrochloric Acid SCHEMBL3337152 0.71 HTR2C (0.55) HTR2C
SCHEMBL12975614 0.70 TLR9 (0.60) HTR1FQDPRTLR9TLR8TLR7

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-1998020875-A1 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 1998-05-22 WO disclosed