SCHEMBL8444844

SCHEMBL8444844

C=C(Br)C(=O)Nc1c[nH]c(C(=O)Nc2c[nH]c(C(=O)Nc3c[nH]c(C(=O)Nc4c[nH]c(C(=O)NCCC#N)c4C)c3C)c2C)c1C

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 1/20 0.32

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
SCHEMBL8442943 1.00 GRM1 (0.32) GRM1
SCHEMBL7827768 0.90 BDKRB1 (0.32)
SCHEMBL7837931 0.90 BDKRB1 (0.32)
SCHEMBL8442187 0.90 GRM1 (0.31) GRM1
SCHEMBL7838584 0.89 BDKRB1 (0.33)
SCHEMBL7839763 0.89
SCHEMBL7825745 0.89
SCHEMBL7838067 0.88
SCHEMBL7813677 0.86 ITGB3 (0.35)
SCHEMBL7804897 0.85 TOP1 (0.38)

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-0915845-A1 ACRYLOYL SUBSTITUTED DISTAMYCIN DERIVATIVES, PROCESS FOR PREPARING THEM, AND THEIR USE AS ANTITUMOR AND ANTIVIRAL AGENTS PHARMACIA & UPJOHN S.p.A. (IT) 1999-05-19 EP claimed
WO-1998004524-A1 ACRYLOYL SUBSTITUTED DISTAMYCIN DERIVATIVES, PROCESS FOR PREPARING THEM, AND THEIR USE AS ANTITUMOR AND ANTIVIRAL AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 1998-02-05 WO claimed
EP-0915845-A1 ACRYLOYL SUBSTITUTED DISTAMYCIN DERIVATIVES, PROCESS FOR PREPARING THEM, AND THEIR USE AS ANTITUMOR AND ANTIVIRAL AGENTS PHARMACIA & UPJOHN S.p.A. (IT) 1999-05-19 EP disclosed
WO-1998004524-A1 ACRYLOYL SUBSTITUTED DISTAMYCIN DERIVATIVES, PROCESS FOR PREPARING THEM, AND THEIR USE AS ANTITUMOR AND ANTIVIRAL AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 1998-02-05 WO disclosed