SCHEMBL7946843

SCHEMBL7946843

CN(C)CCOc1ccccc1-c1cccc(-n2cccc2)c1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 6/20 0.63
ALDH1A1 P00352 3/20 0.56
KDM4E B2RXH2 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
ADRB2 P07550 1/20 0.54
ADRB1 P08588 1/20 0.54
HTR1B P28222 2/20 0.46
DRD2 P14416 1/20 0.41
DRD1 P21728 1/20 0.41
DRD4 P21917 1/20 0.41
DRD5 P21918 1/20 0.41
PTPN1 P18031 1/20 0.39
GRM5 P41594 1/20 0.39
SLC6A9 P48067 1/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 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
SCHEMBL29904797 0.79 HTR7 (1.00) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL7803876 0.78 HTR7 (0.65) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL8415073 0.71 HTR7 (0.84) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL6560573 0.71 HTR7 (0.62) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL4138233 0.71 HTR7 (0.77) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL11023742 0.70 KDM4E (0.86) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
Hydrochloric Acid SCHEMBL11621730 0.70 HTR7 (0.81) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL6560783 0.70 HTR7 (0.69) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL8266804 0.70 HTR7 (0.74) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL11018654 0.69 KDM4E (0.83) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6255327-B1 ANTIHYPOXC, ANTIISCHEMIC AGENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-07-03 US disclosed