SCHEMBL6562176

SCHEMBL6562176

CN(C)CCOc1ccccc1-n1cc(-c2ccccc2)[nH]c1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.54
GAA P10253 2/20 0.54
HTR7 P34969 3/20 0.49
KDM4E B2RXH2 5/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TNKS O95271 2/20 0.43
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
DRD2 P14416 1/20 0.41
DRD1 P21728 1/20 0.41
DRD4 P21917 1/20 0.41
DRD5 P21918 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
HTR1B P28222 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 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
SCHEMBL6560795 0.79 HTR7 (0.52) ALDH1A1HTR7KDM4ESMN1; SMN2ADRB2
SCHEMBL7944253 0.76 HTR7 (0.49) ALDH1A1HTR7KDM4ESMN1; SMN2ADRB2
SCHEMBL6560069 0.74 HTR7 (0.55) ALDH1A1HTR7KDM4ESMN1; SMN2ADRB2
SCHEMBL7944215 0.70 HTR7 (0.70) ALDH1A1HTR7KDM4ESMN1; SMN2ADRB2
SCHEMBL7805547 0.69 CA12 (0.54) ALDH1A1GAAKDM4ESMN1; SMN2TNKS
SCHEMBL7946819 0.69 HTR7 (0.52) ALDH1A1HTR7KDM4ESMN1; SMN2ADRB2
SCHEMBL7805578 0.68 HTR7 (0.48) ALDH1A1HTR7KDM4ESMN1; SMN2ADRB2
SCHEMBL29904797 0.67 HTR7 (1.00) ALDH1A1HTR7KDM4ESMN1; SMN2ADRB2
SCHEMBL15886588 0.67 ALDH1A1 (0.49) ALDH1A1GAAKDM4ESMN1; SMN2TNKS
SCHEMBL6561335 0.67 HTR7 (0.52) ALDH1A1HTR7KDM4ESMN1; 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