SCHEMBL4391835

SCHEMBL4391835

CCc1cccc(NCCCc2c[nH]cn2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.37
RAPGEF4 Q8WZA2 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
ICMT O60725 1/20 0.35

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 SCHEMBL7991119 0.93 SMN1; SMN2 (0.40) SMN1; SMN2NPC1POLBRAB9AATM
SCHEMBL4389350 0.84 CXCR4 (0.41) SMN1; SMN2NPC1POLBRAB9AL3MBTL1
Oxalic Acid SCHEMBL8934783 0.80 MAPT (0.34) SMN1; SMN2NPC1POLBRAB9AATM
SCHEMBL4380977 0.80 CTSC (0.43) SMN1; SMN2L3MBTL1SYKMAPT
SCHEMBL4379745 0.79 HPGD (0.43) SMN1; SMN2NPC1RAB9AMAPT
Oxalic Acid SCHEMBL7991460 0.78 TP53 (0.37) SMN1; SMN2NPC1POLBRAB9AL3MBTL1
SCHEMBL4392060 0.76 ALDH1A1 (0.49) SMN1; SMN2NPC1POLBL3MBTL1
Oxalic Acid SCHEMBL7990904 0.74 RXFP1 (0.43) RAB9AL3MBTL1HDAC3HDAC1HDAC2
SCHEMBL28044646 0.74 RAPGEF4 (0.47) RAPGEF4SMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL7991126 0.73 HDAC4 (0.38) SMN1; SMN2NPC1POLBRAB9AATM

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