SCHEMBL8967682

SCHEMBL8967682

N#Cc1ccc(NCCC23CCCN2CCC3)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
LMNA P02545 1/20 0.44
ICMT O60725 1/20 0.43
CACNA1B Q00975 2/20 0.39
MEN1 O00255 1/20 0.39
CACNA1H O95180 1/20 0.38
TRPA1 O75762 1/20 0.38
CHRM1 P11229 1/20 0.36
HTR2A P28223 1/20 0.36
MCHR1 Q99705 1/20 0.36
PKM P14618 1/20 0.36
KCNJ1 P48048 1/20 0.36
KCNH2 Q12809 1/20 0.36
CYP2D6 P10635 2/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HRH3 Q9Y5N1 2/20 0.35
CYP3A4 P08684 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34

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
Hydrochloric Acid SCHEMBL10842012 0.79 ALDH1A1 (0.41) LMNAICMTKCNH2
SCHEMBL8967733 0.75 KDM4E (0.43) POLBLMNAMEN1KCNH2TSHR
SCHEMBL4233973 0.73 CACNA1B (0.55) POLBCACNA1BMEN1CACNA1HCHRM1
SCHEMBL5516545 0.69 ALDH1A1 (0.44)
SCHEMBL5712397 0.67 PRSS1 (0.46)
SCHEMBL5712390 0.67 PRSS1 (0.46)
SCHEMBL6418566 0.67 PRSS1 (0.46)
SCHEMBL8967641 0.67 SCN5A (0.42) LMNA
SCHEMBL7520952 0.66 ABCB1 (0.50) ICMTTSHR
SCHEMBL1063377 0.66 SAE1 (0.44) POLBLMNAMEN1PKMTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5530138-A A PYRROLIZINE DERIVATIVE; EFFECTIVE IN THE TREATMENT OF SENILE DEMENTIA SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1996-06-25 US claimed
EP-0647642-A1 1-Azabicyclo(3.3.0)octane derivatives and their use SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1995-04-12 EP claimed
US-5530138-A A PYRROLIZINE DERIVATIVE; EFFECTIVE IN THE TREATMENT OF SENILE DEMENTIA SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1996-06-25 US disclosed
EP-0647642-A1 1-Azabicyclo(3.3.0)octane derivatives and their use SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1995-04-12 EP disclosed