SCHEMBL6561489

SCHEMBL6561489

CN(C)CCOc1ccccc1-c1n[nH]c(-c2ccccc2)n1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.62
ALDH1A1 P00352 3/20 0.55
KDM4E B2RXH2 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
ADRB2 P07550 1/20 0.53
ADRB1 P08588 1/20 0.53
HPGDS O60760 1/20 0.48
NR1H2 P55055 3/20 0.48
NR1H3 Q13133 3/20 0.48
BRD4 O60885 1/20 0.47
HTR1B P28222 1/20 0.45
DRD2 P14416 1/20 0.43
DRD1 P21728 1/20 0.43
DRD4 P21917 1/20 0.43
DRD5 P21918 1/20 0.43
PDE5A O76074 2/20 0.42
ACHE P22303 1/20 0.42

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
SCHEMBL6669515 0.78 HTR7 (0.67) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL29904797 0.78 HTR7 (1.00) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL6562272 0.78 HTR7 (0.62) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL6673101 0.77 HTR7 (0.65) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL5736045 0.76 HTR7 (0.63) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL6561348 0.76 NR1H2 (0.59) ALDH1A1KDM4ESMN1; SMN2HPGDSNR1H2
SCHEMBL6668813 0.75 HTR7 (0.62) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL7947414 0.75 HTR7 (0.62) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL7803851 0.75 HTR7 (0.62) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL6669102 0.74 HTR7 (0.65) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2

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