SCHEMBL8967608

SCHEMBL8967608

N#Cc1ccccc1NCC12CCCN1CCC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.49
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
POLB P06746 2/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
LMNA P02545 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CHRNA7 P36544 1/20 0.37
RAB9A P51151 1/20 0.36
SCN5A Q14524 1/20 0.36
SCN9A Q15858 1/20 0.36
ROCK2 O75116 1/20 0.36
ROCK1 Q13464 1/20 0.36
CDC42BPB Q9Y5S2 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35

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 0.86 KDM4E (0.43) SMN1; SMN2KDM4EHPGDTSHRHSD17B10
SCHEMBL8967669 0.84 TSHR (0.41) SMN1; SMN2KDM4EHPGDTSHRHSD17B10
SCHEMBL20653742 0.81 MEN1 (0.41) SMN1; SMN2KDM4EHPGDTSHRPOLB
SCHEMBL20653773 0.74 SCN9A (0.43) SMN1; SMN2POLBLMNASCN5ASCN9A
SCHEMBL8967872 0.69 L3MBTL1 (0.41) SMN1; SMN2KDM4EHPGDTSHRHSD17B10
SCHEMBL10832465 0.68 DRD3 (0.54) SMN1; SMN2KDM4EHPGDTSHRHSD17B10
SCHEMBL8967665 0.68 SMN1; SMN2 (0.39) SMN1; SMN2POLBALDH1A1AR
SCHEMBL10831148 0.67 HRH3 (0.50) KDM4EHPGDTSHRHSD17B10POLB
SCHEMBL5186812 0.66 TSHR (0.53) KDM4EHPGDTSHRHSD17B10POLB
SCHEMBL10831472 0.66 HRH3 (0.52) KDM4EHPGDTSHRHSD17B10POLB

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