SCHEMBL9564600

SCHEMBL9564600

CC(=CCN1CCNCC1)c1ccccc1C

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
ADRB1 P08588 2/20 0.41
SIGMAR1 Q99720 1/20 0.39
HTR7 P34969 1/20 0.38
CNR2 P34972 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 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
SCHEMBL9564599 1.00 LMNA (0.48) LMNAADRB1SIGMAR1HTR7CNR2
SCHEMBL9564604 0.84 RXFP1 (0.49) LMNAADRB1SIGMAR1
SCHEMBL9564601 0.84 RXFP1 (0.49) LMNAADRB1SIGMAR1
SCHEMBL11492529 0.82 HTR6 (0.43) LMNASIGMAR1HTR7CHRNB2CHRNB4
SCHEMBL11493511 0.82 HTR6 (0.43) LMNASIGMAR1HTR7CHRNB2CHRNB4
SCHEMBL13539860 0.80 CHRNB2 (0.49) SIGMAR1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL11492527 0.75 SIGMAR1 (0.41) SIGMAR1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL11489490 0.72 LTA4H (0.48) SLC6A2SLC6A4
SCHEMBL4356995 0.70 CHRNB2 (0.70) LMNAADRB1SIGMAR1SLC6A4CHRNB2
SCHEMBL11493943 0.70 CYP1A2 (0.38) LMNASIGMAR1

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
EP-0551617-A2 Cinnamyl piperazine derivatives method of manufacturing the same and agricultural/horticultural fungicides containing cinnamyl piperazine derivatives UBE INDUSTRIES, LTD. (JP) 1993-07-21 EP disclosed