SCHEMBL6624735

SCHEMBL6624735

COC(CC1CCCC(C(=O)NCCc2ccccc2)N1C(=O)OCc1ccccc1)OC

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.51
CYP3A4 P08684 1/20 0.51
MAPT P10636 1/20 0.51
CYP2C9 P11712 1/20 0.51
TSHR P16473 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
PRCP P42785 1/20 0.47
PREP P48147 2/20 0.46
KMT2A Q03164 2/20 0.45
ATM Q13315 1/20 0.45
MEN1 O00255 1/20 0.45
FKBP1A P62942 4/20 0.45
HTR2C P28335 1/20 0.43
HDAC8 Q9BY41 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HTT P42858 1/20 0.41
TAAR1 Q96RJ0 2/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL6625846 0.94 PRCP (0.51) RAB9ACYP3A4MAPTCYP2C9TSHR
SCHEMBL6627266 0.86 PREP (0.48) RAB9ACYP3A4MAPTTSHRSMN1; SMN2
SCHEMBL6627702 0.86 PREP (0.49) RAB9ATSHRSMN1; SMN2PREPKMT2A
SCHEMBL6625748 0.83 FKBP1A (0.43) PRCPKMT2AFKBP1A
SCHEMBL12125835 0.80 RAB9A (0.53) RAB9ACYP3A4MAPTCYP2C9TSHR
SCHEMBL12125834 0.78 RAB9A (0.55) RAB9ACYP3A4MAPTCYP2C9TSHR
SCHEMBL12125833 0.77 CYP3A4 (0.50) RAB9ACYP3A4MAPTCYP2C9TSHR
SCHEMBL6628624 0.75 FKBP1A (0.44) RAB9ACYP3A4MAPTTSHRSMN1; SMN2
SCHEMBL19898539 0.74 HTR2C (0.47) RAB9ACYP3A4MAPTTSHRSMN1; SMN2
SCHEMBL19898733 0.74 HTR2C (0.47) RAB9ACYP3A4MAPTTSHRSMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1098897-B1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR STIMULATING NEURONAL GROWTH AND ELONGATION AGOURON PHARMA (US) 2004-06-09 EP disclosed
US-6630472-B1 Peptidyl-prolyl isomerase inhibitors PFIZER INC 2003-10-07 US disclosed
EP-1098897-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR STIMULATING NEURONAL GROWTH AND ELONGATION AGOURON PHARMACEUTICALS, INC. (US) 2001-05-16 EP disclosed
WO-2000004020-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR STIMULATING NEURONAL GROWTH AND ELONGATION AGOURON PHARMACEUTICALS, INC. (US) 2000-01-27 WO disclosed