SCHEMBL7772425

SCHEMBL7772425

NC(=O)Nc1cccc(OCCN(CCCCC(=O)NC2CCCCCC2)Cc2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ICMT O60725 1/20 0.47
ALB P02768 1/20 0.47
EPHX1 P07099 1/20 0.47
CNR2 P34972 2/20 0.46
CNR1 P21554 2/20 0.46
EPHX2 P34913 2/20 0.45
RAB9A P51151 2/20 0.42
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
NPC1 O15118 1/20 0.41
PDE3B Q13370 2/20 0.41
PDE3A Q14432 2/20 0.41
P2RY12 Q9H244 2/20 0.41

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
SCHEMBL7764577 0.82 BCHE (0.56) MEN1KMT2AICMTALBEPHX1
SCHEMBL8565479 0.81 EPHX1 (0.48) MEN1KMT2AICMTALBEPHX1
SCHEMBL7764590 0.81 MEN1 (0.58) MEN1KMT2AEPHX1CNR2CNR1
SCHEMBL7566432 0.78 EPHX1 (0.65) MEN1KMT2AICMTALBEPHX1
SCHEMBL7769378 0.78 EPHX1 (0.65) MEN1KMT2AICMTALBEPHX1
SCHEMBL8022082 0.77 EPHX1 (0.48) MEN1KMT2AICMTALBEPHX1
SCHEMBL7764576 0.77 EPHX1 (0.64) MEN1KMT2AICMTALBEPHX1
SCHEMBL7568901 0.77 EPHX1 (0.64) MEN1KMT2AICMTALBEPHX1
SCHEMBL7568943 0.75 EPHX2 (0.64) MEN1KMT2AICMTALBEPHX1
SCHEMBL7764597 0.72 MEN1 (0.60) MEN1KMT2ACNR2CNR1EPHX2

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-0929515-B1 NOVEL PHENOXYETHYLAMINE DERIVATIVES, METHOD OF PREPARATION, APPLICATION AS MEDICINE AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME CONSEILS DE RECH S SOC D (FR) 2001-06-20 EP disclosed
US-6150417-A ADMINISTERING TO WARM BLOODED ANIMALS COMPOUNDS SUCH AS N-TERT-BUTYL-5-((2-(2-METHOXYPHENOXY)ETHYL)AMINO)PENTANAMIDE FOR INDUCING ANTIEMETIC ACTIVITY; TREATING ANXIETY, DEPRESSION, AND SLEEP DISORDERS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (FR) 2000-11-21 US disclosed