SCHEMBL7979239

SCHEMBL7979239

CC(C)(N)C(=O)N[C@H](CSCc1ccccc1)C(=O)[N+]1(S(C)(=O)=O)CC2(CCNCC2)c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.39
ACE P12821 3/20 0.35
PPARG P37231 3/20 0.33
PPARA Q07869 3/20 0.33
TACR1 P25103 1/20 0.33
MAPT P10636 1/20 0.32
PPARD Q03181 2/20 0.31

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
SCHEMBL8161727 0.89 GHSR (0.39) GHSRTACR1
SCHEMBL8466975 0.87 GHSR (0.39) GHSRTACR1
SCHEMBL8238063 0.86 GHSR (0.51) GHSRTACR1
Hydrochloric Acid SCHEMBL8606952 0.79 GHSR (0.32) GHSR
SCHEMBL8462876 0.77 GHSR (0.39) GHSRACE
SCHEMBL7595843 0.75 PPARA (0.41) GHSRPPARGPPARATACR1
SCHEMBL7930529 0.74 GHSR (0.46) GHSRACETACR1
Hydrochloric Acid SCHEMBL7575092 0.71 GHSR (0.42) GHSRACETACR1
SCHEMBL7848280 0.70 GHSR (0.37) GHSRACE
SCHEMBL7381269 0.69 GHSR (0.76) GHSRTACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6228867-B1 2-PHENYL-PYRROLO(2,3-B)PYRIDINE DERIVATIVES FOR TREATING UROGENITAL AND SLEEP DISORDERS; ANTICARCINOGENIC AGENTS; BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC. 2001-05-08 US disclosed