SCHEMBL7276423

SCHEMBL7276423

C=CC[C@@H]1C[C@@H](CC#N)N(CCCc2ccccc2)C1=O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.37
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
SIGMAR1 Q99720 3/20 0.34
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
OPRM1 P35372 1/20 0.33
ELANE P08246 1/20 0.33
TP53 P04637 1/20 0.32
MDM2 Q00987 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL7275478 0.85 CHRNB4 (0.39) FAAHCHRNB4CHRNA3GSK3AGSK3B
SCHEMBL7274379 0.85 FAAH (0.39) FAAHCHRNB4CHRNA3GSK3AGSK3B
SCHEMBL7275324 0.85 CHRNB4 (0.39) FAAHCHRNB4CHRNA3GSK3AGSK3B
SCHEMBL7282793 0.83 ALDH1A1 (0.45) GSK3AGSK3BSIGMAR1ALDH1A1MEN1
SCHEMBL7281548 0.82 FAAH (0.36) FAAHCHRNB4CHRNA3ALDH1A1DRD2
SCHEMBL7283442 0.82 GAA (0.39) FAAHCHRNB4CHRNA3GSK3AGSK3B
SCHEMBL7272984 0.81 CHRNB4 (0.39) FAAHCHRNB4CHRNA3SIGMAR1ALDH1A1
SCHEMBL7273909 0.81 TDP1 (0.44) GSK3AGSK3BALDH1A1KMT2ATSHR
SCHEMBL7274156 0.80 ABCB1 (0.42) CHRNB4CHRNA3MEN1KMT2AOPRM1
SCHEMBL7282764 0.80 ABCB1 (0.42) CHRNB4CHRNA3MEN1KMT2AOPRM1

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-0483667-B1 Cyclic imino derivatives, process for their preparation and drugs containing them THOMAE GMBH DR K (DE) 1998-02-04 EP disclosed
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