SCHEMBL7274075

SCHEMBL7274075

O=C(O)CCCCC[C@@H]1C[C@@H](CO)N(CCCc2ccccc2)C1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
HDAC3 O15379 1/20 0.43
MAPK1 P28482 1/20 0.43
ADRA1A P35348 1/20 0.43
HDAC4 P56524 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HDAC1 Q13547 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
PTGER4 P35408 7/20 0.43
PTGER2 P43116 2/20 0.43
PTGER1 P34995 1/20 0.43

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
SCHEMBL7276105 0.89 FAAH (0.40) MAPTMAPK1SMN1; SMN2
SCHEMBL7274188 0.84 OGA (0.41)
SCHEMBL7274186 0.81 FAAH (0.40) MAPT
SCHEMBL7275757 0.79 SMN1; SMN2 (0.39) MAPTRXFP1HDAC3MAPK1ADRA1A
SCHEMBL7275324 0.78 CHRNB4 (0.39)
SCHEMBL7276097 0.78 OGA (0.43)
SCHEMBL7275190 0.78 ITGB3 (0.44) MAPTRXFP1F2PRSS1
SCHEMBL7274292 0.77 MMP2 (0.41) MAPTRXFP1HDAC3HDAC4HDAC1
SCHEMBL7281279 0.76 FAAH (0.39) MAPTMAPK1SMN1; SMN2
SCHEMBL7274361 0.76 SIGMAR1 (0.41) SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5591769-A PYRROLIDINE DERIVATIVES; ANTICOAGULANTS KARL THOMAE GMBH (DE) 1997-01-07 US disclosed
US-5541343-A ANTIAGGLOMERANTS FOR CELLS OR ANTICOAGULANTS KARL THOMAE GMBH (DE) 1996-07-30 US disclosed
EP-0483667-A2 Cyclic imino derivatives, process for their preparation and drugs containing them Dr. Karl Thomae GmbH (DE) 1992-05-06 EP disclosed