SCHEMBL6560069

SCHEMBL6560069

CN(C)CCOc1ccccc1-n1ccc(-c2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.55
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 4/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ADRB2 P07550 2/20 0.47
ADRB1 P08588 2/20 0.47
DRD2 P14416 1/20 0.46
DRD1 P21728 1/20 0.46
DRD4 P21917 1/20 0.46
DRD5 P21918 1/20 0.46
HTR1B P28222 1/20 0.44
LSS P48449 1/20 0.42
LTA4H P09960 1/20 0.40
HRH1 P35367 2/20 0.39

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
SCHEMBL7803876 0.77 HTR7 (0.65) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL7946819 0.76 HTR7 (0.52) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL6559666 0.76 TUBB4A (0.49) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB1
SCHEMBL6561335 0.74 HTR7 (0.52) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL6562176 0.74 ALDH1A1 (0.54) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL29904797 0.71 HTR7 (1.00) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL7944253 0.71 HTR7 (0.49) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL6561450 0.69 HTR7 (0.50) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL28329739 0.68 MGLL (0.46) ALDH1A1SMN1; SMN2DRD2DRD4
SCHEMBL22831331 0.68 LSS (0.83) HTR7ALDH1A1KDM4EADRB2ADRB1

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 2 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