SCHEMBL10523968

SCHEMBL10523968

CN1CC(OC(=O)C2c3ccccc3Oc3ccccc32)CN=C1N

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 5/20 0.51
CHRM1 P11229 5/20 0.51
CHRM3 P20309 5/20 0.51
ATM Q13315 2/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
TSHR P16473 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.39
CYP2D6 P10635 1/20 0.39
KCNH2 Q12809 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPK1 P28482 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
SCHEMBL10524998 0.87 CHRM2 (0.49) CHRM2CHRM1CHRM3ATMALDH1A1
SCHEMBL5532368 0.75 CHRM1 (0.59) CHRM2CHRM1CHRM3ATMALDH1A1
SCHEMBL10522120 0.74 CHRM2 (0.45) CHRM2CHRM1CHRM3ATMALDH1A1
Hydrochloric Acid SCHEMBL10391348 0.71 CYP2D6 (0.53) CHRM2CHRM1CHRM3ALDH1A1KMT2A
SCHEMBL2596509 0.70 HDAC3 (0.61) CHRM2CHRM1ATMKMT2AMEN1
Trantelinium SCHEMBL29385462 0.68 APOBEC3A (0.53) CHRM2CHRM1CHRM3ATMALDH1A1
SCHEMBL3574604 0.68 CHRM3 (1.00) CHRM2CHRM1CHRM3ALDH1A1KDM4E
SCHEMBL7200244 0.68 CHRM3 (1.00) CHRM2CHRM1CHRM3ALDH1A1KDM4E
SCHEMBL13875521 0.65 CHRM3 (0.59) CHRM2CHRM1CHRM3ATMALDH1A1
SCHEMBL4184283 0.64 CHRM3 (0.55) CHRM2CHRM1CHRM3ATMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0309422-A2 New amidino tricycle derivatives ISTITUTO DE ANGELI S.p.A. (IT) 1989-03-29 EP disclosed