SCHEMBL7946819

SCHEMBL7946819

CN(C)CCOc1ccccc1-n1cc(-c2ccccc2)cn1

nearest known ligand 0.52

Predicted protein targets (top 16)

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
LSS P48449 1/20 0.40
LTA4H P09960 1/20 0.38
CREBBP Q92793 1/20 0.38
HRH1 P35367 1/20 0.38
DYRK1B Q9Y463 1/20 0.37

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
SCHEMBL6560573 0.79 HTR7 (0.62) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL7805608 0.78 AVPR2 (0.49) ALDH1A1KDM4ESMN1; SMN2DRD2DRD4
SCHEMBL6561335 0.77 HTR7 (0.52) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL6560069 0.76 HTR7 (0.55) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL6561450 0.70 HTR7 (0.50) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL29904797 0.70 HTR7 (1.00) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL6562176 0.69 ALDH1A1 (0.54) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL7944253 0.69 HTR7 (0.49) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL7805578 0.68 HTR7 (0.48) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL1207015 0.67 L3MBTL1 (0.42) ALDH1A1KDM4ESMN1; SMN2CREBBPDYRK1B

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