SCHEMBL6563153

SCHEMBL6563153

CN(C)CCOc1ccccc1-c1ncn(-c2ccccc2)n1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.56
ALDH1A1 P00352 5/20 0.50
KDM4E B2RXH2 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
ADRB2 P07550 1/20 0.48
ADRB1 P08588 1/20 0.48
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
FGFR1 P11362 1/20 0.42
SRC P12931 1/20 0.42
LTA4H P09960 1/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 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
SCHEMBL7805600 0.78 ADRA2A (0.34) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL6559765 0.78 HTR7 (0.53) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL6561335 0.77 HTR7 (0.52) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL6560573 0.76 HTR7 (0.62) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL7803876 0.73 HTR7 (0.65) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL29904797 0.73 HTR7 (1.00) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL7803866 0.72 HTR7 (0.53) HTR7ALDH1A1KDM4ESMN1; SMN2
SCHEMBL6669515 0.71 HTR7 (0.67) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL6561330 0.71 HTR7 (0.51) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL6673101 0.70 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