SCHEMBL7276102

SCHEMBL7276102

C=CCC[C@@H]1C[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)N(CCCc2ccccc2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.38
MGLL Q99685 3/20 0.35
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL7282778 0.95 FAAH (0.39) FAAHMGLLCHRNB4CHRNA3GSK3A
SCHEMBL7275231 0.90 CHRNB4 (0.37) FAAHMGLLCHRNB4CHRNA3GSK3A
SCHEMBL7275948 0.90 CHRNB4 (0.37) FAAHMGLLCHRNB4CHRNA3GSK3A
SCHEMBL7272646 0.90 GSK3A (0.35) GSK3AGSK3BSIGMAR1
SCHEMBL7276617 0.87 FAAH (0.37) FAAHMGLLCHRNB4CHRNA3GSK3A
SCHEMBL7283097 0.86 HRH3 (0.40) CHRNB4CHRNA3SIGMAR1
SCHEMBL7275757 0.84 SMN1; SMN2 (0.39)
SCHEMBL7282618 0.84 ALDH1A1 (0.34) FAAHCHRNB4CHRNA3SIGMAR1
SCHEMBL7273271 0.83 ALDH1A1 (0.40) GSK3AGSK3B
SCHEMBL7283379 0.83 SSTR5 (0.41) MGLLCHRNB4CHRNA3SIGMAR1

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