SCHEMBL6628463

SCHEMBL6628463

COC(=O)C1CCCC(OC)N1C(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
HTR2C P28335 1/20 0.50
ALDH1A1 P00352 2/20 0.48
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.48
PREP P48147 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HTT P42858 2/20 0.47
MITF O75030 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C19 P33261 1/20 0.46
LTA4H P09960 2/20 0.46
TP53 P04637 1/20 0.45

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
SCHEMBL10614922 0.93 HTR2C (0.52) FKBP1ASMN1; SMN2NPC1RAB9AHTR2C
SCHEMBL10614925 0.93 HTR2C (0.52) FKBP1ASMN1; SMN2NPC1RAB9AHTR2C
SCHEMBL6625918 0.89 FKBP1A (0.52) FKBP1ASMN1; SMN2NPC1RAB9AHTR2C
SCHEMBL9546447 0.87 HTR2C (0.57) FKBP1ASMN1; SMN2NPC1RAB9AHTR2C
SCHEMBL6625440 0.85 FKBP1A (0.47) FKBP1ASMN1; SMN2NPC1RAB9AHTR2C
SCHEMBL29816675 0.82 HTR2C (0.52) FKBP1ASMN1; SMN2NPC1RAB9AHTR2C
SCHEMBL19910781 0.82 HTR2C (0.47) FKBP1ASMN1; SMN2NPC1RAB9AHTR2C
SCHEMBL19898733 0.82 HTR2C (0.47) FKBP1ASMN1; SMN2NPC1RAB9AHTR2C
SCHEMBL6627266 0.82 PREP (0.48) FKBP1ASMN1; SMN2NPC1RAB9AHTR2C
SCHEMBL19898539 0.82 HTR2C (0.47) FKBP1ASMN1; SMN2NPC1RAB9AHTR2C

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