SCHEMBL6073024

SCHEMBL6073024

O=C(OCc1ccccc1)N1[CH]CC(F)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
HTR2C P28335 1/20 0.47
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
P2RX4 Q99571 2/20 0.43
P2RX1 P51575 1/20 0.43
P2RX3 P56373 1/20 0.43
ALDH1A1 P00352 3/20 0.42
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42

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
SCHEMBL10563196 0.84 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19
SCHEMBL12480315 0.76 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19
SCHEMBL3841510 0.76 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19
SCHEMBL3614635 0.75 SMN1; SMN2 (0.68) SMN1; SMN2NPC1RAB9ACYP2C19KMT2A
SCHEMBL3529765 0.75 SMN1; SMN2 (0.68) SMN1; SMN2NPC1RAB9ACYP2C19KMT2A
SCHEMBL3788614 0.75 SMN1; SMN2 (0.68) SMN1; SMN2NPC1RAB9ACYP2C19KMT2A
SCHEMBL2896415 0.75 SMN1; SMN2 (0.76) SMN1; SMN2NPC1RAB9ACYP2C19KMT2A
SCHEMBL30609918 0.73 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19
SCHEMBL4504921 0.73 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9AHTR2CCYP2C19
SCHEMBL25035422 0.72 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9ACYP2C19KMT2A

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
WO-2006011035-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS; PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS LTD. (US) 2006-02-02 WO claimed
WO-2006011035-A1 NOVEL DIPEPTIDYL PEPTIDASE IV INHIBITORS; PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS LTD. (US) 2006-02-02 WO disclosed