SCHEMBL6559707

SCHEMBL6559707

CN(C)CCOc1ccccc1N1C(=O)NC(c2ccccc2)C1=O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.46
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ESR1 P03372 1/20 0.43
LMNA P02545 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
DRD2 P14416 1/20 0.41
DRD1 P21728 1/20 0.41
DRD4 P21917 1/20 0.41
DRD5 P21918 1/20 0.41
HTR1B P28222 1/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
HRH1 P35367 1/20 0.38
AR P10275 1/20 0.38

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
SCHEMBL6561509 0.81 HTR7 (0.46) HTR7ALDH1A1KDM4ESMN1; SMN2ESR1
SCHEMBL7944255 0.74 FADS1 (0.45) HTR7ALDH1A1KDM4ESMN1; SMN2DRD2
SCHEMBL13311684 0.74 L3MBTL1 (0.55) HTR7ALDH1A1KDM4ESMN1; SMN2DRD2
SCHEMBL845936 0.68 AR (0.61) ALDH1A1LMNAADORA3AR
SCHEMBL5363138 0.68 HTR1A (0.59) HTR7LMNADRD2ADRB1
SCHEMBL11536267 0.68 HTR7 (0.47) HTR7ALDH1A1KDM4ESMN1; SMN2DRD2
SCHEMBL6562176 0.67 ALDH1A1 (0.54) HTR7ALDH1A1KDM4ESMN1; SMN2DRD2
SCHEMBL11847887 0.65 HTR7 (0.44) HTR7ALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL8352887 0.65 HTR7 (0.65) HTR7ALDH1A1KDM4ESMN1; SMN2DRD2
SCHEMBL11536895 0.64 HTR7 (0.46) HTR7ALDH1A1KDM4ESMN1; SMN2DRD2

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-1071670-B1 NOVEL DIPHENYL-SUBSTITUTED 5-RING-HETEROCYCLES, METHOD FOR PRODUCING THEM AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2004-07-07 EP disclosed
US-6255327-B1 ANTIHYPOXC, ANTIISCHEMIC AGENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-07-03 US disclosed
EP-1071670-A1 NOVEL DIPHENYL-SUBSTITUTED 5-RING-HETEROCYCLES, METHOD FOR PRODUCING THEM AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM KG (DE) 2001-01-31 EP disclosed
WO-1999054314-A1 NOVEL DIPHENYL-SUBSTITUTED 5-RING-HETEROCYCLES, METHOD FOR PRODUCING THEM AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-10-28 WO disclosed