SCHEMBL7276101

SCHEMBL7276101

NC(N)=NCC1CCc2cc(S(=O)(=O)NC[C@@H]3C[C@@H](CC(=O)O)C(=O)N3CCCc3ccccc3)ccc21

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 4/20 0.45
SMN1; SMN2 Q16637 1/20 0.36
PPARD Q03181 4/20 0.36
FFAR1 O14842 2/20 0.36
PPARA Q07869 4/20 0.35
PPARG P37231 3/20 0.35
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
MTNR1A P48039 1/20 0.33
PKM P14618 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
SCHEMBL7276520 0.89 SMN1; SMN2 (0.35) HTR6SMN1; SMN2PPARDFFAR1PPARA
Water SCHEMBL7275459 0.81 PNMT (0.41) SMN1; SMN2PKM
Water SCHEMBL7283376 0.80 TBXA2R (0.41) SMN1; SMN2PKM
SCHEMBL7276108 0.79 TBXA2R (0.40) SMN1; SMN2ITGB3ITGA2BPKM
SCHEMBL7276521 0.79 PNMT (0.38) SMN1; SMN2ITGB3ITGA2BPKM
SCHEMBL7273720 0.77 PNMT (0.39) SMN1; SMN2PKM
SCHEMBL7273778 0.76 TBXA2R (0.39) SMN1; SMN2PKM
SCHEMBL7273681 0.71 ALDH1A1 (0.44) SMN1; SMN2
Hydrochloric Acid SCHEMBL7283092 0.70 F10 (0.38)
SCHEMBL7282531 0.70 ALDH1A1 (0.45) 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 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