SCHEMBL6980870

SCHEMBL6980870

CCCNC(=O)c1ccc2c(c1)C(=C(Nc1ccc(CN(C)Cc3ccccc3)cc1)c1ccccc1)C(=O)N2

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 0.45
TMEM97 Q5BJF2 9/20 0.45
ACHE P22303 4/20 0.41
OPRM1 P35372 1/20 0.41
BCHE P06276 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
NAMPT P43490 1/20 0.40
GRK5 P34947 1/20 0.40

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
SCHEMBL6980866 1.00 SIGMAR1 (0.45) SIGMAR1TMEM97ACHEOPRM1BCHE
SCHEMBL6985634 0.94 ROCK2 (0.42) SIGMAR1TMEM97NAMPTGRK5
SCHEMBL6985636 0.94 ROCK2 (0.42) SIGMAR1TMEM97NAMPTGRK5
SCHEMBL7227469 0.92 TMEM97 (0.44) SIGMAR1TMEM97ACHEOPRM1BCHE
SCHEMBL7227472 0.92 TMEM97 (0.44) SIGMAR1TMEM97ACHEOPRM1BCHE
SCHEMBL6977152 0.89 ACHE (0.43) ACHEBCHENAMPT
SCHEMBL6977153 0.89 ACHE (0.43) ACHEBCHENAMPT
SCHEMBL6979739 0.89 L3MBTL1 (0.45) KDM4EGAAKMT2ANAMPTGRK5
SCHEMBL6979734 0.89 L3MBTL1 (0.45) KDM4EGAAKMT2ANAMPTGRK5
SCHEMBL436992 0.89 TMEM97 (0.42) SIGMAR1TMEM97OPRM1KDM4EMEN1

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-1071665-B1 SUBSTITUTED INDOLINONES HAVING AN INHIBITING EFFECT ON KINASES AND CYCLINE/CDK COMPLEXES BOEHRINGER INGELHEIM PHARMA (DE) 2003-10-01 EP disclosed
EP-1071665-A1 SUBSTITUTED INDOLINONES HAVING AN INHIBITING EFFECT ON KINASES AND CYCLINE/CDK COMPLEXES Boehringer Ingelheim Pharma KG (DE) 2001-01-31 EP disclosed
US-6169106-B1 ANTITUMOUR AGENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-01-02 US disclosed
WO-1999052869-A1 SUBSTITUTED INDOLINONES HAVING AN INHIBITING EFFECT ON KINASES AND CYCLINE/CDK COMPLEXES BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-10-21 WO disclosed