SCHEMBL6152811

SCHEMBL6152811

O=C1C(=Cc2cccnc2)N2CCC1CC2.O=C1C2CCN(CC2)C1Cc1cccnc1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.70
ALDH1A1 P00352 7/20 0.53
KDM4E B2RXH2 1/20 0.53
CHRNA7 P36544 3/20 0.41
CHRNB2 P17787 2/20 0.41
CHRNA4 P43681 2/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
THRB P10828 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
LMNA P02545 3/20 0.41
HPGD P15428 2/20 0.40
MAPK1 P28482 3/20 0.40
CTSK P43235 1/20 0.40
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL6152809 1.00 SMN1; SMN2 (0.70) SMN1; SMN2ALDH1A1KDM4ECHRNA7CHRNB2
SCHEMBL31375366 0.84 CHRNA7 (0.56) ALDH1A1CHRNA7CHRNB2CHRNA4LMNA
SCHEMBL13732440 0.84 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1KDM4ECHRNB2CHRNA4
SCHEMBL372881 0.84 CHRNA7 (0.56) ALDH1A1CHRNA7CHRNB2CHRNA4LMNA
SCHEMBL372886 0.84 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1KDM4ECHRNB2CHRNA4
SCHEMBL372987 0.84 CHRNA7 (0.56) ALDH1A1CHRNA7CHRNB2CHRNA4LMNA
SCHEMBL372885 0.84 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1KDM4ECHRNB2CHRNA4
Hydrochloric Acid SCHEMBL373321 0.82 LMNA (0.55) ALDH1A1CHRNA7CHRNB2CHRNA4LMNA
Potassium Ion SCHEMBL3805984 0.81 SMN1; SMN2 (0.95) SMN1; SMN2ALDH1A1KDM4ECHRNB2CHRNA4
SCHEMBL703829 0.77 SMN1; SMN2 (0.85) SMN1; SMN2ALDH1A1KDM4ECHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1594869-A2 3-SUBSTITUTED-2(ARYLALKYL)-1-AZABICYCLOALKANES AND METHODS OF USE THEREOF Targacept, Inc. (US) 2005-11-16 EP disclosed
WO-2004076449-A2 3-SUBSTITUTED-2(ARYLALKYL)-1-AZABICYCLOALKANES AND METHODS OF USE THEREOF TARGACEPT, INC. (US) 2004-09-10 WO disclosed