SCHEMBL6627702

SCHEMBL6627702

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

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PREP P48147 5/20 0.49
HTR2C P28335 1/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
FKBP1A P62942 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
TP53 P04637 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 1/20 0.41
AGTR2 P50052 3/20 0.41
CTRB1 P17538 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
SCHEMBL6627266 0.91 PREP (0.48) PREPHTR2CNPC1RAB9ASMN1; SMN2
SCHEMBL6624735 0.86 RAB9A (0.51) PREPHTR2CNPC1RAB9ASMN1; SMN2
SCHEMBL6625846 0.84 PRCP (0.51) PREPRAB9ASMN1; SMN2FKBP1AKMT2A
SCHEMBL3941416 0.83 SMN1; SMN2 (0.57) PREPHTR2CNPC1RAB9ASMN1; SMN2
SCHEMBL6625918 0.80 FKBP1A (0.52) PREPHTR2CNPC1RAB9ASMN1; SMN2
SCHEMBL6628624 0.79 FKBP1A (0.44) PREPHTR2CNPC1RAB9ASMN1; SMN2
SCHEMBL13567880 0.77 HTR2C (0.53) PREPHTR2CNPC1RAB9ASMN1; SMN2
SCHEMBL1509090 0.77 HTR2C (0.53) PREPHTR2CNPC1RAB9ASMN1; SMN2
SCHEMBL19898539 0.76 HTR2C (0.47) PREPHTR2CNPC1RAB9ASMN1; SMN2
SCHEMBL19898733 0.76 HTR2C (0.47) PREPHTR2CNPC1RAB9ASMN1; 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