SCHEMBL6561330

SCHEMBL6561330

CN(C)CCOc1ccccc1-c1nn(-c2ccccc2)c(=O)o1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.51
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 4/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
ESR2 Q92731 1/20 0.42
HSD17B10 Q99714 1/20 0.42
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
DRD4 P21917 1/20 0.40
DRD5 P21918 1/20 0.40
KAT2B Q92831 1/20 0.39
HTR1B P28222 1/20 0.39
FABP3 P05413 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
SCHEMBL6560817 0.80 HSD17B10 (0.57) ALDH1A1KDM4ESMN1; SMN2MEN1MAPT
SCHEMBL7805578 0.79 HTR7 (0.48) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL7805593 0.75 HTR7 (0.52) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL6559765 0.74 HTR7 (0.53) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL7803866 0.74 HTR7 (0.53) HTR7ALDH1A1KDM4ESMN1; SMN2FABP3
SCHEMBL11381008 0.73 DCTPP1 (0.51) ALDH1A1KDM4ESMN1; SMN2MEN1MAPT
SCHEMBL5781445 0.72 HTR7 (0.48) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL7949388 0.71 HTR7 (0.60) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
Hydrochloric Acid SCHEMBL5785010 0.71 HTR7 (0.47) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL6563153 0.71 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