SCHEMBL7363296

SCHEMBL7363296

C[C@H](N)C(=O)N1CCC(CC(=O)OCc2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
CYP2C19 P33261 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
DPP4 P27487 1/20 0.47
KCNH2 Q12809 1/20 0.47
DPP7 Q9UHL4 1/20 0.47
OPRK1 P41145 1/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
APOBEC3A P31941 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
POLB P06746 1/20 0.46
CCR1 P32246 1/20 0.45
PRMT5 O14744 1/20 0.45
GRIN2B Q13224 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL7363294 1.00 SMN1; SMN2 (0.48) SMN1; SMN2CYP2C19NPC1RAB9ADPP4
SCHEMBL8790576 0.86 SMN1; SMN2 (0.46) SMN1; SMN2CYP2C19NPC1RAB9AKCNH2
SCHEMBL8790586 0.86 SMN1; SMN2 (0.46) SMN1; SMN2CYP2C19NPC1RAB9AKCNH2
SCHEMBL8790582 0.82 CYP2C19 (0.41) SMN1; SMN2CYP2C19DPP4KCNH2DPP7
SCHEMBL8790127 0.82 CYP2C19 (0.41) SMN1; SMN2CYP2C19DPP4KCNH2DPP7
SCHEMBL10853040 0.81 ALDH1A1 (0.49) SMN1; SMN2CYP2C19NPC1RAB9AGRIN2B
SCHEMBL8791458 0.81 SMN1; SMN2 (0.50) SMN1; SMN2CYP2C19NPC1RAB9APOLB
SCHEMBL20612426 0.80 MEN1 (0.58) SMN1; SMN2CYP2C19NPC1RAB9ADPP4
SCHEMBL16465286 0.80 MEN1 (0.58) SMN1; SMN2CYP2C19NPC1RAB9ADPP4
SCHEMBL16466450 0.80 MEN1 (0.58) SMN1; SMN2CYP2C19NPC1RAB9ADPP4

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-1996020172-A1 FIBRINOGEN RECEPTOR ANTAGONISTS HAVING SUBSTITUTED β-AMINO ACID RESIDUES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME NIPPON STEEL CORPORATION (JP) 1996-07-04 WO disclosed