SCHEMBL6626844

SCHEMBL6626844

O=C1C2CCCC(C=CN1CCCCc1ccccc1)N2C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.38
FABP7 O15540 2/20 0.35
FABP5 Q01469 2/20 0.35
FKBP1A P62942 1/20 0.35
ACE P12821 1/20 0.35
CHRNB2 P17787 4/20 0.34
CHRNB4 P30926 4/20 0.34
CHRNA3 P32297 4/20 0.34
CHRNA4 P43681 4/20 0.34
KMT2A Q03164 1/20 0.34
EPHX2 P34913 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL6630038 0.70 HTR2C (0.44) EPHX2TDP1L3MBTL1
SCHEMBL8124433 0.68 FABP5 (0.49) OPRD1FABP7FABP5KMT2AEPHX2
SCHEMBL31370144 0.67 FABP5 (0.49) FABP7FABP5ACEKMT2AEPHX2
SCHEMBL13327272 0.67 L3MBTL1 (0.48) FABP7FABP5KMT2AEPHX2L3MBTL1
SCHEMBL3308417 0.63 ACE (0.45) FABP7FABP5ACEKMT2A
SCHEMBL17356388 0.63 ACE (0.45) FABP7FABP5ACEKMT2A
SCHEMBL28777376 0.63 ACE (0.45) FABP7FABP5ACEKMT2A
SCHEMBL22648502 0.63 ACE (0.45) FABP7FABP5ACEKMT2A
SCHEMBL3310057 0.63 FKBP1A (0.42) FABP7FABP5FKBP1AACEKMT2A
SCHEMBL16969179 0.63 KMT2A (0.43) OPRD1FABP7FABP5KMT2AEPHX2

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