SCHEMBL8968027

SCHEMBL8968027

COc1ccc(N(C=O)CC23CCCN2CCC3)c2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB3 Q13509 1/20 0.36
HCN4 Q9Y3Q4 4/20 0.35
HCN1 O60741 4/20 0.35
TP53 P04637 1/20 0.35
ALDH1A1 P00352 4/20 0.34
HSD17B10 Q99714 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
STAT6 P42226 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
TSHR P16473 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 2/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
FTO Q9C0B1 1/20 0.33
C5AR1 P21730 1/20 0.33

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
SCHEMBL8967617 0.83 TUBB3 (0.38) TUBB3HCN4HCN1TP53ALDH1A1
SCHEMBL8967505 0.83 SIGMAR1 (0.35) ALDH1A1SIGMAR1TSHRFTOLMNA
SCHEMBL8967955 0.73 SIGMAR1 (0.47) HCN4HCN1SIGMAR1KDM4E
SCHEMBL8967593 0.71 ALDH1A1 (0.33) ALDH1A1HSD17B10SIGMAR1TSHRSMN1; SMN2
SCHEMBL8967976 0.70 HCN4 (0.42) HCN4HCN1TP53ALDH1A1HSD17B10
SCHEMBL8967658 0.67 SIGMAR1 (0.41) TP53ALDH1A1HSD17B10CYP1A2CYP3A4
SCHEMBL8967761 0.66 SIGMAR1 (0.40) HCN4HCN1SIGMAR1KDM4EFTO
SCHEMBL8968081 0.66 CHEK1 (0.46) SIGMAR1KDM4E
SCHEMBL8554443 0.64 CTSB (0.43) ALDH1A1SIGMAR1SMN1; SMN2KDM4EMAPT
SCHEMBL9162210 0.62 IDO1 (0.50) TUBB3ALDH1A1HSD17B10CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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