SCHEMBL8967669

SCHEMBL8967669

N#Cc1ccccc1NCCCC12CCCN1CCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
AR P10275 1/20 0.32
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32
CDC42BPB Q9Y5S2 1/20 0.32

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
SCHEMBL8967733 0.92 KDM4E (0.43) TSHRKDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL8967608 0.84 SMN1; SMN2 (0.49) TSHRKDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL10831148 0.74 HRH3 (0.50) TSHRKDM4EHPGDHSD17B10POLB
SCHEMBL10831324 0.73 HRH3 (0.52) TSHRKDM4EHPGDHSD17B10POLB
SCHEMBL10831472 0.73 HRH3 (0.52) TSHRKDM4EHPGDHSD17B10POLB
SCHEMBL8967671 0.71 ICMT (0.43) KDM4EALDH1A1KMT2AMEN1L3MBTL1
SCHEMBL8967641 0.71 SCN5A (0.42) HPGDMAPTLMNAGAA
SCHEMBL10831294 0.71 HRH3 (0.54)
SCHEMBL10832465 0.70 DRD3 (0.54) TSHRKDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL3568604 0.70 TSHR (0.56) TSHRKDM4EHPGDHSD17B10POLB

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