SCHEMBL6625918

SCHEMBL6625918

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

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 4/20 0.52
HTR2C P28335 1/20 0.51
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPSR1 Q6W5P4 1/20 0.48
PREP P48147 1/20 0.48
MITF O75030 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
TP53 P04637 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
LTA4H P09960 2/20 0.47
ALDH1A1 P00352 2/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL9546447 0.91 HTR2C (0.57) FKBP1AHTR2CNPC1RAB9ASMN1; SMN2
SCHEMBL3941416 0.91 SMN1; SMN2 (0.57) FKBP1AHTR2CNPC1RAB9ASMN1; SMN2
SCHEMBL6628463 0.89 FKBP1A (0.51) FKBP1AHTR2CNPC1RAB9ASMN1; SMN2
SCHEMBL6625440 0.84 FKBP1A (0.47) FKBP1AHTR2CNPC1RAB9ASMN1; SMN2
SCHEMBL11109029 0.84 HTR2C (0.52) FKBP1AHTR2CNPC1RAB9ASMN1; SMN2
SCHEMBL11104947 0.84 HTR2C (0.52) FKBP1AHTR2CNPC1RAB9ASMN1; SMN2
SCHEMBL29816675 0.84 HTR2C (0.52) FKBP1AHTR2CNPC1RAB9ASMN1; SMN2
SCHEMBL10614925 0.84 HTR2C (0.52) FKBP1AHTR2CNPC1RAB9ASMN1; SMN2
SCHEMBL11104941 0.84 HTR2C (0.52) FKBP1AHTR2CNPC1RAB9ASMN1; SMN2
SCHEMBL10614922 0.84 HTR2C (0.52) FKBP1AHTR2CNPC1RAB9ASMN1; 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 5 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
CN-1318067-A Compounds, compsns. and methods for stimulating neuronal growth and elongation AGOURON PHARMA (US) 2001-10-17 CN 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