SCHEMBL7805593

SCHEMBL7805593

CN(C)CCOc1ccccc1-c1cn(-c2ccccc2)c(=O)o1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.52
ALDH1A1 P00352 5/20 0.50
KDM4E B2RXH2 5/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
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
PTPN1 P18031 1/20 0.40
FGFR1 P11362 1/20 0.40
SRC P12931 1/20 0.40

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
SCHEMBL7805538 0.79 ALDH1A1 (0.49) ALDH1A1KDM4ESMN1; SMN2SRC
SCHEMBL7944253 0.79 HTR7 (0.49) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL6560795 0.76 HTR7 (0.52) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL6561330 0.75 HTR7 (0.51) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL7803876 0.70 HTR7 (0.65) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL29904797 0.70 HTR7 (1.00) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
SCHEMBL7946803 0.69 AKR1C3 (0.42) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL6560831 0.69 HTR7 (0.63) HTR7ALDH1A1KDM4ESMN1; SMN2ADRB2
Hydrochloric Acid SCHEMBL7376415 0.69 SIGMAR1 (0.57) HTR7ALDH1A1KDM4ESMN1; SMN2
SCHEMBL6560573 0.68 HTR7 (0.62) 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 3 patents. 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
EP-1071670-A1 NOVEL DIPHENYL-SUBSTITUTED 5-RING-HETEROCYCLES, METHOD FOR PRODUCING THEM AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM KG (DE) 2001-01-31 EP disclosed
WO-1999054314-A1 NOVEL DIPHENYL-SUBSTITUTED 5-RING-HETEROCYCLES, METHOD FOR PRODUCING THEM AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-10-28 WO disclosed