SCHEMBL7274866

SCHEMBL7274866

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

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
FAAH O00519 12/20 0.38
MGLL Q99685 4/20 0.36
OPRM1 P35372 1/20 0.35
ELANE P08246 2/20 0.35
F2 P00734 1/20 0.35
CTSG P08311 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
HTR2A P28223 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL7275714 0.97 FAAH (0.39) CHRNB4CHRNA3FAAHMGLLELANE
SCHEMBL7281928 0.94 F2 (0.36) CHRNB4CHRNA3FAAHOPRM1ELANE
SCHEMBL7281067 0.92 MGLL (0.41) MGLLSIGMAR1KCNH2
SCHEMBL7274275 0.87 CHRNB4 (0.36) CHRNB4CHRNA3FAAHSIGMAR1KCNH2
SCHEMBL7273490 0.87 F2 (0.37) ELANEF2CTSG
SCHEMBL7275003 0.86 ELANE (0.37) FAAHMGLLELANEF2CTSG
SCHEMBL7275083 0.86 ALOX12 (0.34)
SCHEMBL7275231 0.82 CHRNB4 (0.37) CHRNB4CHRNA3FAAHMGLLELANE
SCHEMBL7275948 0.82 CHRNB4 (0.37) CHRNB4CHRNA3FAAHMGLLELANE
SCHEMBL7274379 0.82 FAAH (0.39) CHRNB4CHRNA3FAAHMGLLOPRM1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0528369-B1 Cyclic imino derivatives, pharmaceutical compositions containing them and process for their preparation BOEHRINGER INGELHEIM PHARMA (DE) 1999-11-24 EP disclosed
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
US-5455348-A Anticoagulants Thomae, Karl (DE) 1995-10-03 US disclosed
EP-0528369-A2 Cyclic imino derivatives, pharmaceutical compositions containing them and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-02-24 EP 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