SCHEMBL6560795

SCHEMBL6560795

CN(C)CCOc1ccccc1-c1cn(-c2ccccc2)c(=O)[nH]1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.52
ALDH1A1 P00352 6/20 0.50
KDM4E B2RXH2 6/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
KMT2A Q03164 2/20 0.46
ADRB2 P07550 1/20 0.45
ADRB1 P08588 1/20 0.45
DRD2 P14416 1/20 0.41
DRD1 P21728 1/20 0.41
DRD4 P21917 1/20 0.41
DRD5 P21918 1/20 0.41
HTR1B P28222 1/20 0.40
MCHR1 Q99705 1/20 0.40
FGFR1 P11362 1/20 0.40
SRC P12931 1/20 0.40
GLA P06280 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL6562176 0.79 ALDH1A1 (0.54) HTR7ALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL7805593 0.76 HTR7 (0.52) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL7944215 0.73 HTR7 (0.70) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL14404 0.70 HTR7 (0.38) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL7803876 0.70 HTR7 (0.65) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL29904797 0.70 HTR7 (1.00) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL6560573 0.68 HTR7 (0.62) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL6561330 0.68 HTR7 (0.51) HTR7ALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL7949356 0.68 HTR7 (0.65) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL6563153 0.67 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