SCHEMBL7479570

SCHEMBL7479570

C=CCOc1cccc(C2=CCNCC2)c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.52
SIGMAR1 Q99720 2/20 0.50
ADRA2A P08913 1/20 0.50
ADRA2B P18089 1/20 0.50
ADRA2C P18825 1/20 0.50
QDPR P09417 3/20 0.43
TLR9 Q9NR96 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
INPPL1 O15357 1/20 0.41

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
SCHEMBL11524342 0.82 HTR2C (0.56) HTR2CSIGMAR1QDPRTLR9TLR7
SCHEMBL7394377 0.77 HTR2C (0.60) HTR2CSIGMAR1QDPR
Hydrochloric Acid SCHEMBL4789235 0.76 HTR2C (0.61) HTR2CSIGMAR1QDPR
SCHEMBL22085949 0.76 MEN1 (0.46) ADRA2AADRA2BADRA2C
SCHEMBL4981424 0.72 LTA4H (0.47)
SCHEMBL6590672 0.72 QDPR (0.54) HTR2CSIGMAR1QDPRTLR9TLR7
SCHEMBL22391641 0.72 INPPL1 (0.60) HTR2CSIGMAR1INPPL1
SCHEMBL25717559 0.72 INPPL1 (0.47) HTR2CSIGMAR1QDPRTLR9TLR7
Hydrochloric Acid SCHEMBL30209303 0.71 INPPL1 (0.59) HTR2CSIGMAR1INPPL1
Hydrochloric Acid SCHEMBL26913755 0.71 INPPL1 (0.59) HTR2CSIGMAR1INPPL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0747357-B1 Dihydropyridine NPY antagonists: piperidine derivatives BRISTOL MYERS SQUIBB CO (US) 2002-01-09 EP disclosed
US-5668151-A USEFUL AS ANOREXIGENIC AGENTS IN PROMOTING WEIGHT LOSS AND TREATING EATING DISORDERS BRISTOL-MYERS SQUIBB COMPANY (US) 1997-09-16 US disclosed
EP-0747357-A2 Dihydropyridine NPY antagonists: piperidine derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 1996-12-11 EP disclosed