SCHEMBL4379745

SCHEMBL4379745

CC(=O)c1cccc(NCCCc2c[nH]cn2)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.43
RAB9A P51151 2/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 1/20 0.42
TSHR P16473 1/20 0.42
GAA P10253 1/20 0.42
ALDH1A1 P00352 6/20 0.41
HTT P42858 2/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 4/20 0.41
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP1A2 P05177 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
SCHEMBL4387581 0.83 RAB9A (0.63) HPGDRAB9ALMNASMN1; SMN2NPC1
Oxalic Acid SCHEMBL7994699 0.82 CHEK1 (0.37) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
Oxalic Acid SCHEMBL8934783 0.81 MAPT (0.34) HPGDRAB9ALMNASMN1; SMN2NPC1
Oxalic Acid SCHEMBL7991119 0.81 SMN1; SMN2 (0.40) HPGDRAB9ASMN1; SMN2NPC1GAA
SCHEMBL4391835 0.79 GRM4 (0.37) RAB9ASMN1; SMN2NPC1MAPT
Oxalic Acid SCHEMBL7990904 0.78 RXFP1 (0.43) HPGDRAB9ALMNAGAAALDH1A1
SCHEMBL4379687 0.78 KMT2A (0.50) RAB9ASMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL8367864 0.78 FNTA (0.49) SMN1; SMN2ALDH1A1MAPK1NPSR1
SCHEMBL4543312 0.77 KMT2A (0.49) ALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL8366423 0.77 FNTA (0.48) SMN1; SMN2ALDH1A1MAPK1NPSR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6248765-B1 ANTIINFLAMMATORY AGENTS; HYPOTENSIVE AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICAL (FR) 2001-06-19 US claimed
EP-0760811-B1 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H3 MODULATORS INST NAT SANTE RECH MED (FR) 2009-11-18 EP disclosed
EP-0760811-A1 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H 3? (ANT)AGONISTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1997-03-12 EP disclosed
WO-1996029315-A2 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H3 (ANT)AGONISTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1996-09-26 WO disclosed