SCHEMBL7573340

SCHEMBL7573340

O=C(NCCCCN(CCOc1cccc2cccnc12)Cc1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPK1 P28482 1/20 0.48
MCHR1 Q99705 6/20 0.46
HDAC6 Q9UBN7 2/20 0.46
MAPT P10636 2/20 0.46
ALDH1A1 P00352 1/20 0.46
KDM4B O94953 1/20 0.45
LMNA P02545 1/20 0.44
METAP2 P50579 1/20 0.44
METAP1 P53582 1/20 0.44
GLRA3 O75311 1/20 0.44
GLRB P48167 1/20 0.44
RAB9A P51151 2/20 0.43
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
NPC1 O15118 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL7129202 0.82 NPC1 (0.53) MCHR1RAB9ATMEM97SIGMAR1NPC1
SCHEMBL7564124 0.82 POLB (0.60) POLBKDM4EMEN1KMT2AMAPK1
SCHEMBL7125002 0.80 APP (0.49) MEN1KMT2AALDH1A1TMEM97SIGMAR1
SCHEMBL8063854 0.79 KDM4E (0.51) POLBKDM4EMEN1KMT2AALDH1A1
SCHEMBL7126384 0.79 SIGMAR1 (0.47) HDAC6ALDH1A1RAB9ATMEM97SIGMAR1
SCHEMBL8022082 0.77 EPHX1 (0.48) MEN1KMT2AHDAC6MAPTALDH1A1
SCHEMBL7573338 0.76 HDAC6 (0.47) POLBKDM4EMEN1KMT2AMAPK1
SCHEMBL7169601 0.74 SIGMAR1 (0.57) HDAC6RAB9ATMEM97SIGMAR1NPC1
SCHEMBL7129442 0.74 SIGMAR1 (0.60) HDAC6RAB9ATMEM97SIGMAR1NPC1
SCHEMBL10243087 0.71 POLB (0.67) POLBKDM4EMEN1KMT2AMAPK1

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-0929525-B1 HETEROARYLOXYETHYLAMINES AS 5-HT1A RECEPTOR LIGANDS SOD CONSEILS RECH APPLIC (FR) 2002-09-04 EP disclosed
US-6063784-A HYPOTENSIVE AGENTS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S. ) (FR) 2000-05-16 US disclosed