SCHEMBL25051622

SCHEMBL25051622

CN1CCC[C@@H](CNC(=O)O)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.50
GFER P55789 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CHRNB2 P17787 2/20 0.40
CHRNA4 P43681 2/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
ALDH1A1 P00352 2/20 0.39
EPHX2 P34913 1/20 0.39
KDM4E B2RXH2 3/20 0.38
EPHX1 P07099 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
POLB P06746 1/20 0.37
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
F2R P25116 1/20 0.36

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
SCHEMBL31420630 0.89 CYP2D6 (0.44) CYP2D6ITGB3ITGA2BF2R
SCHEMBL856649 0.89 CYP2D6 (0.44) CYP2D6ITGB3ITGA2BF2R
SCHEMBL14155724 0.86 CCR3 (0.44) GFERSMN1; SMN2CHRNB2CHRNA4CHRNB4
SCHEMBL14559366 0.86 CCR3 (0.44) GFERSMN1; SMN2CHRNB2CHRNA4CHRNB4
SCHEMBL17207607 0.86 CCR3 (0.44) GFERSMN1; SMN2CHRNB2CHRNA4CHRNB4
SCHEMBL13436977 0.84 TDP1 (0.55) CYP2D6GFERSMN1; SMN2CHRNB2CHRNA4
SCHEMBL4874313 0.84 SMN1; SMN2 (0.40) CYP2D6GFERSMN1; SMN2CHRNB2CHRNA4
SCHEMBL19658450 0.83 PREP (0.48) CYP2D6GFERSMN1; SMN2CHRNB2CHRNA4
SCHEMBL2706533 0.81 KDM4E (0.46) CYP2D6ALDH1A1EPHX2KDM4EEPHX1
SCHEMBL16494745 0.79 CYP2D6 (0.50) CYP2D6EPHX2EPHX1ITGB3ITGA2B

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
WO-2023018810-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2023-02-16 WO disclosed