SCHEMBL7283379

SCHEMBL7283379

C=CC[C@@H]1C[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)N(CCCc2ccc(OCc3ccccc3)cc2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 2/20 0.41
MGLL Q99685 2/20 0.37
LTA4H P09960 2/20 0.37
EPHX2 P34913 1/20 0.36
HRH3 Q9Y5N1 3/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
HTT P42858 1/20 0.36
BCHE P06276 2/20 0.34
FFAR1 O14842 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
ALOX5 P09917 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
SCHEMBL7275948 0.92 CHRNB4 (0.37) MGLLKMT2AMEN1SIGMAR1CHRNB4
SCHEMBL7275231 0.92 CHRNB4 (0.37) MGLLKMT2AMEN1SIGMAR1CHRNB4
SCHEMBL7276617 0.89 FAAH (0.37) SSTR5MGLLKMT2AMEN1SIGMAR1
SCHEMBL7282618 0.86 ALDH1A1 (0.34) KMT2AMEN1HTTSIGMAR1CHRNB4
SCHEMBL7276128 0.86 LTA4H (0.46) SSTR5MGLLLTA4HEPHX2HRH3
SCHEMBL7281067 0.85 MGLL (0.41) SSTR5MGLLLTA4HEPHX2HRH3
SCHEMBL7274552 0.85 TK1 (0.34)
SCHEMBL7276102 0.83 FAAH (0.38) MGLLSIGMAR1CHRNB4CHRNA3
SCHEMBL7280970 0.83 TEAD3 (0.36) LTA4HKMT2AMEN1CHRNB4CHRNA3
SCHEMBL7282778 0.82 FAAH (0.39) MGLLCHRNB4CHRNA3

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