SCHEMBL3841510

SCHEMBL3841510

O=C(OCc1ccccc1)N1C[C@@H](F)[C@@H](F)C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.60
NPC1 O15118 3/20 0.60
RAB9A P51151 3/20 0.60
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
CYP2C19 P33261 1/20 0.57
DPP4 P27487 2/20 0.52
DPP7 Q9UHL4 2/20 0.52
HTR2C P28335 1/20 0.51
GRIN2B Q13224 1/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
P2RX4 Q99571 1/20 0.48
F13A1 P00488 1/20 0.47
TGM2 P21980 1/20 0.47
TGM1 P22735 1/20 0.47
ALDH1A1 P00352 2/20 0.47
PDK1 Q15118 1/20 0.47
PDK2 Q15119 1/20 0.47

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
SCHEMBL12480315 1.00 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL12347282 0.91 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL731036 0.91 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL731037 0.91 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL30014096 0.91 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL17082427 0.90 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL2540666 0.90 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL3321966 0.90 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL14704644 0.90 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL3321854 0.90 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9AMEN1KMT2A

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-1753748-B1 PROLINE DERIVATIVES AND THEIR USE AS DIPEPTIDYL PEPTIDASE IV INHIBITORS PFIZER PROD INC (US) 2009-07-29 EP disclosed