SCHEMBL8967665

SCHEMBL8967665

CN(CCC12CCCN1CCC2)c1ccccc1C#N

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.39
AR P10275 1/20 0.34
POLB P06746 1/20 0.32
KCNH2 Q12809 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
OPRM1 P35372 1/20 0.31
OPRL1 P41146 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
HTR1A P08908 1/20 0.30
ADRA1A P35348 1/20 0.30
ADRA1B P35368 1/20 0.30
JAK1 P23458 1/20 0.30
TYK2 P29597 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL8967724 0.78 SIGMAR1 (0.38) KCNH2SLC6A2SLC6A4SLC6A3SIGMAR1
SCHEMBL8967609 0.76 SIGMAR1 (0.40) SMN1; SMN2KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL8967753 0.75 SIGMAR1 (0.41) SMN1; SMN2ARPOLBSIGMAR1ALDH1A1
SCHEMBL8967600 0.74 AR (0.38) SMN1; SMN2AROPRM1OPRL1HTR1A
SCHEMBL8967860 0.71 AR (0.36) SMN1; SMN2ARHTR1AADRA1AADRA1B
SCHEMBL8967733 0.71 KDM4E (0.43) SMN1; SMN2ARPOLBKCNH2HTR1A
SCHEMBL5950092 0.70 TSHR (0.39) SLC6A2SLC6A4SLC6A3OPRM1OPRL1
SCHEMBL28483720 0.70 TSHR (0.39) SMN1; SMN2SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL8967669 0.69 TSHR (0.41) SMN1; SMN2ARPOLBKCNH2ALDH1A1
SCHEMBL8967608 0.68 SMN1; SMN2 (0.49) SMN1; SMN2ARPOLBALDH1A1

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