SCHEMBL2325937

SCHEMBL2325937

O=[C]N1CCN(c2ccccc2F)CC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.56
ALDH1A1 P00352 4/20 0.56
TSHR P16473 3/20 0.54
HSD17B10 Q99714 2/20 0.54
KDM4E B2RXH2 3/20 0.53
ALOX15 P16050 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
POLB P06746 2/20 0.51
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
MAPK1 P28482 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
GAA P10253 1/20 0.49
GLA P06280 1/20 0.49
USP2 O75604 1/20 0.49

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
SCHEMBL2323797 0.81 ADRB1 (0.55) ALDH1A1KDM4ELMNA
SCHEMBL3243008 0.79 ADRA1B (0.45) SMN1; SMN2ALDH1A1KMT2AMEN1LMNA
SCHEMBL2321072 0.76 DRD4 (0.49) SMN1; SMN2ALDH1A1KMT2AMEN1MAPT
SCHEMBL23161511 0.76 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1TSHRHSD17B10KDM4E
SCHEMBL3042980 0.76 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1TSHRHSD17B10KDM4E
SCHEMBL2325942 0.76 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1TSHRHSD17B10KDM4E
SCHEMBL8698562 0.75 SMN1; SMN2 (0.69) SMN1; SMN2ALDH1A1TSHRHSD17B10KDM4E
SCHEMBL21361444 0.75 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1TSHRHSD17B10KDM4E
SCHEMBL1372296 0.75 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1TSHRHSD17B10KDM4E
SCHEMBL735202 0.75 ALDH1A1 (0.61) SMN1; SMN2ALDH1A1TSHRHSD17B10KDM4E

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-2011094890-A1 PHENYLALANINE DERIVATIVES AND THEIR USE AS NON-PEPTIDE GLP-1 RECEPTOR MODULATORS ARGUSINA INC. (US) 2011-08-11 WO disclosed