SCHEMBL6559765

SCHEMBL6559765

Cc1nc(-c2ccccc2OCCN(C)C)nn1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.53
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 5/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
HTR1B P28222 1/20 0.44
DRD2 P14416 1/20 0.42
DRD1 P21728 1/20 0.42
DRD4 P21917 1/20 0.42
DRD5 P21918 1/20 0.42
FABP3 P05413 2/20 0.40
KDM4A O75164 1/20 0.39
FABP4 P15090 2/20 0.39
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
FGFR1 P11362 1/20 0.38
SRC P12931 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
SCHEMBL6561450 0.78 HTR7 (0.50) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL6563153 0.78 HTR7 (0.56) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL7803866 0.76 HTR7 (0.53) HTR7ALDH1A1KDM4ESMN1; SMN2FABP3
SCHEMBL6561330 0.74 HTR7 (0.51) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL7949144 0.73 HTR7 (0.60) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL6669515 0.72 HTR7 (0.67) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL6561489 0.72 HTR7 (0.62) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL6673101 0.71 HTR7 (0.65) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL29904797 0.71 HTR7 (1.00) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL7954897 0.70 HTR7 (0.56) 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