SCHEMBL7434670

SCHEMBL7434670

N#Cc1ccc2cc(COc3ccc4c(c3)C(OC(N)=O)CCC4)ccc2c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.48
MAOA P21397 3/20 0.48
KCNH2 Q12809 3/20 0.42
FFAR1 O14842 3/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
FFAR4 Q5NUL3 1/20 0.40
RXRB P28702 1/20 0.40
RAB9A P51151 2/20 0.38
GRM5 P41594 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL7397683 0.83 MAOB (0.50) MAOBMAOAKCNH2FFAR1SLC6A2
SCHEMBL7391019 0.81 MAOB (0.49) MAOBMAOAKCNH2FFAR1SLC6A2
SCHEMBL7441961 0.76 ALDH1A1 (0.51) MAOBMAOAALDH1A1MAPT
SCHEMBL2807078 0.72 MAOB (0.58) MAOBMAOAKCNH2FFAR1FFAR4
SCHEMBL7437975 0.72 MRGPRX4 (0.50) MAOBMAOAFFAR1FFAR4RXRB
SCHEMBL7302216 0.72 MAOB (0.47) MAOBMAOAKCNH2FFAR1RXRB
Hydrochloric Acid SCHEMBL2804511 0.72 MAOB (0.57) MAOBMAOAKCNH2FFAR1FFAR4
SCHEMBL29228391 0.71 KMT2A (0.44) FFAR1ALDH1A1
SCHEMBL7175494 0.70 RXRA (0.44) MAOBMAOAFFAR1RXRBRAB9A
SCHEMBL7175491 0.70 RXRA (0.44) MAOBMAOAFFAR1RXRBRAB9A

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-1177169-A1 6- [(ARYL AND HETEROARYL)OXY] METHYL]NAPHTHALENE -2-CARBOXIMIDAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC APPLICATION THEREOF SANOFI-SYNTHELABO (FR) 2002-02-06 EP disclosed
WO-2000066545-A1 6-[[(ARYL AND HETEROARYL)OXY] METHYL]NAPHTHALENE -2-CARBOXIMIDAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC APPLICATION THEREOF SANOFI-SYNTHELABO (FR) 2000-11-09 WO disclosed