SCHEMBL7286457

SCHEMBL7286457

C=[C]CCN1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.50
POLB P06746 2/20 0.48
MAPT P10636 2/20 0.44
ALDH1A1 P00352 2/20 0.42
PKM P14618 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 2/20 0.39
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
PRMT8 Q9NR22 1/20 0.39
CYP1A2 P05177 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL967849 0.77 HRH3 (0.48) HRH3POLBMAPTLMNAKMT2A
SCHEMBL153467 0.76 POLB (0.81) HRH3POLBMAPTALDH1A1PKM
SCHEMBL1037242 0.76 HRH3 (0.48) HRH3POLBMAPTALDH1A1PKM
SCHEMBL64284 0.76 POLB (0.81) HRH3POLBMAPTALDH1A1PKM
SCHEMBL1036468 0.76 HRH3 (0.48) HRH3POLBMAPTALDH1A1PKM
SCHEMBL25432585 0.76 HRH3 (0.48) HRH3POLBMAPTALDH1A1PKM
SCHEMBL5807815 0.76 HRH3 (0.48) HRH3POLBMAPTALDH1A1PKM
SCHEMBL15650449 0.76 POLB (0.81) HRH3POLBMAPTALDH1A1PKM
SCHEMBL20858732 0.76 HRH3 (0.48) HRH3POLBMAPTALDH1A1PKM
SCHEMBL968654 0.76 HRH3 (0.48) HRH3POLBMAPTALDH1A1PKM

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
US-4883797-A CARDIOVASCULAR PROPERTIES; INCREASING CEREBRAL FLOW FERRER INTERNACIONAL, S.A. (ES) 1989-11-28 US disclosed
EP-0097340-A2 Piperazine derivatives, a process for preparing them and pharmaceutical compositions FERRER INTERNACIONAL, S.A. (ES) 1984-01-04 EP disclosed