SCHEMBL7455392

SCHEMBL7455392

O=C(OCc1ccc2ccccc2c1)C1CCCN1Cc1ccc2ccccc2c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 1/20 0.57
POLB P06746 2/20 0.55
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
KDM4E B2RXH2 3/20 0.51
SPHK1 Q9NYA1 1/20 0.50
ALDH1A1 P00352 3/20 0.49
NPBWR1 P48145 1/20 0.49
MCHR1 Q99705 1/20 0.49
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
KDM2B Q8NHM5 1/20 0.47
SCN3A Q9NY46 1/20 0.46
HRH3 Q9Y5N1 2/20 0.45
GRM2 Q14416 1/20 0.45

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
SCHEMBL1818673 0.84 CCR4 (0.65) CCR4POLBKMT2ASPHK1NPBWR1
SCHEMBL2029864 0.84 CCR4 (0.65) CCR4POLBKMT2ASPHK1NPBWR1
SCHEMBL29412321 0.84 CCR4 (0.65) CCR4POLBKMT2ASPHK1NPBWR1
SCHEMBL2274909 0.82 POLB (0.61) POLBMEN1KMT2AKDM4ESPHK1
SCHEMBL2274911 0.82 POLB (0.61) POLBMEN1KMT2AKDM4ESPHK1
SCHEMBL7454316 0.81 POLB (0.55) POLBMEN1KMT2AKDM4ESPHK1
SCHEMBL21869793 0.79 POLB (0.58) POLBMEN1KMT2AKDM4ESPHK1
SCHEMBL7449941 0.78 KDM4E (0.56) POLBMEN1KMT2AKDM4ESPHK1
SCHEMBL9650151 0.78 KDM4E (0.56) POLBMEN1KMT2AKDM4ESPHK1
SCHEMBL21017403 0.77 L3MBTL1 (0.60) POLBMEN1KMT2AALDH1A1SMN1; SMN2

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
EP-1137412-A4 SUBSTITUTED NITROGEN HETEROCYCLIC COMPOUNDS AND THERAPEUTIC USES THEREOF AMERICAN BIOGENETIC SCIENCES (US) 2002-04-03 EP disclosed
EP-1137412-A2 SUBSTITUTED NITROGEN HETEROCYCLIC COMPOUNDS AND THERAPEUTIC USES THEREOF AMERICAN BIOGENETIC SCIENCES, INC. (US) 2001-10-04 EP disclosed
WO-2000033788-A2 SUBSTITUTED NITROGEN HETEROCYCLIC COMPOUNDS AND THERAPEUTIC USES THEREOF AMERICAN BIOGENETIC SCIENCES INC. (US) 2000-06-15 WO disclosed