SCHEMBL4389350

SCHEMBL4389350

CCc1ccc(NCCCc2c[nH]cn2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.41
MCHR1 Q99705 9/20 0.37
HTR2A P28223 7/20 0.37
CHRM1 P11229 6/20 0.37
GAA P10253 3/20 0.36
HPGD P15428 2/20 0.36
ALOX15 P16050 2/20 0.36
HSD17B10 Q99714 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
APAF1 O14727 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
ALOX12 P18054 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
BLM P54132 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
Oxalic Acid SCHEMBL7991460 0.92 TP53 (0.37) CXCR4MCHR1HTR2ACHRM1GAA
SCHEMBL4391835 0.84 GRM4 (0.37) MAPTPOLBL3MBTL1NPC1RAB9A
SCHEMBL4376612 0.82 MCHR1 (0.43) MCHR1HTR2ACHRM1MAPTKMT2A
Oxalic Acid SCHEMBL7991119 0.78 SMN1; SMN2 (0.40) GAAHPGDMAPTALDH1A1POLB
Oxalic Acid SCHEMBL7994699 0.77 CHEK1 (0.37) HSD17B10MAPTALDH1A1POLBMAPK1
SCHEMBL4386689 0.77 LMNA (0.45) HPGDMAPTALDH1A1NPC1RAB9A
Oxalic Acid SCHEMBL7987751 0.76 CHRM1 (0.39) MCHR1HTR2ACHRM1GAAMAPT
SCHEMBL20822020 0.73 HRH4 (0.42) HTR2AKMT2AMEN1
SCHEMBL9500613 0.73 NOS3 (0.41) ALOX15MAPTKMT2AMEN1ALDH1A1
SCHEMBL11050091 0.73 LPL (0.36) CXCR4HPGDMAPTALDH1A1NPC1

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 5 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
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 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