SCHEMBL4380977

SCHEMBL4380977

FC(F)(F)c1cccc(NCCCc2c[nH]cn2)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSC P53634 1/20 0.43
LMNA P02545 1/20 0.43
CTSK P43235 4/20 0.42
KCNH2 Q12809 4/20 0.42
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
PHGDH O43175 1/20 0.39
KDM4E B2RXH2 1/20 0.39
BRD4 O60885 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
IDH2 P48735 1/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSS P25774 1/20 0.39
SYK P43405 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
GAA P10253 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
Oxalic Acid SCHEMBL7990904 0.93 RXFP1 (0.43) CTSCLMNACTSKMAPTKDM4E
SCHEMBL31060288 0.81 HRH3 (0.58) LMNAMAPTHRH3PHGDHIDH2
SCHEMBL4391835 0.80 GRM4 (0.37) MAPTSMN1; SMN2L3MBTL1SYK
SCHEMBL7971497 0.79 MAPT (0.46) LMNAMAPTSMN1; SMN2GAA
SCHEMBL4385045 0.78 L3MBTL1 (0.47) LMNAHRH3KDM4EL3MBTL1GAA
SCHEMBL27110169 0.77 AURKA (0.61) CTSCKDM4ESYK
SCHEMBL30847376 0.77 AURKA (0.61) CTSCKDM4ESYK
SCHEMBL4385050 0.77 LMNA (0.48) LMNAHRH3KDM4EL3MBTL1GAA
SCHEMBL223971 0.77 TAAR1 (0.51)
SCHEMBL11114461 0.77 MAPT (0.51) LMNAMAPTSMN1; SMN2L3MBTL1IDH2

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 3 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
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