SCHEMBL6625846

SCHEMBL6625846

COC(CC1CCCC(C(=O)NCCCCc2ccccc2)N1C(=O)OCc1ccccc1)OC

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRCP P42785 1/20 0.51
FKBP1A P62942 14/20 0.47
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
RAB9A P51151 1/20 0.46
PREP P48147 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 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
SCHEMBL6624735 0.94 RAB9A (0.51) PRCPFKBP1ACYP3A4MAPTCYP2C9
SCHEMBL6625748 0.88 FKBP1A (0.43) PRCPFKBP1AKMT2A
SCHEMBL6627266 0.85 PREP (0.48) PRCPFKBP1ACYP3A4MAPTTSHR
SCHEMBL6627702 0.84 PREP (0.49) FKBP1ATSHRRAB9APREPSMN1; SMN2
SCHEMBL12125835 0.74 RAB9A (0.53) PRCPFKBP1ACYP3A4MAPTCYP2C9
SCHEMBL6628624 0.73 FKBP1A (0.44) PRCPFKBP1ACYP3A4MAPTTSHR
SCHEMBL19898733 0.73 HTR2C (0.47) PRCPFKBP1ACYP3A4MAPTTSHR
SCHEMBL19910781 0.73 HTR2C (0.47) PRCPFKBP1ACYP3A4MAPTTSHR
SCHEMBL19898539 0.73 HTR2C (0.47) PRCPFKBP1ACYP3A4MAPTTSHR
SCHEMBL12125834 0.72 RAB9A (0.55) PRCPFKBP1ACYP3A4MAPTCYP2C9

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