SCHEMBL6561335

SCHEMBL6561335

CN(C)CCOc1ccccc1-n1cnc(-c2ccccc2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.52
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 4/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ADRB2 P07550 1/20 0.45
ADRB1 P08588 1/20 0.45
DRD2 P14416 1/20 0.44
DRD1 P21728 1/20 0.44
DRD4 P21917 1/20 0.44
DRD5 P21918 1/20 0.44
HTR1B P28222 1/20 0.43
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
LTA4H P09960 1/20 0.38
LSS P48449 1/20 0.38
HRH1 P35367 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
SCHEMBL6560797 0.79 AVPR2 (0.48) ALDH1A1KDM4ESMN1; SMN2LMNAPOLB
SCHEMBL6561450 0.78 HTR7 (0.50) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL7946819 0.77 HTR7 (0.52) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL6563153 0.77 HTR7 (0.56) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL6560069 0.74 HTR7 (0.55) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL28238357 0.71 ALDH1A1 (0.42) ALDH1A1LMNAPOLBMAPTTSHR
SCHEMBL7805578 0.71 HTR7 (0.48) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL7949144 0.70 HTR7 (0.60) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL29904797 0.70 HTR7 (1.00) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL6669515 0.68 HTR7 (0.67) 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