SCHEMBL4379680

SCHEMBL4379680

CC(C)c1cccc(OCCCc2c[nH]cn2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
TSHR P16473 1/20 0.49
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HTR1A P08908 5/20 0.40
HTR7 P34969 5/20 0.40
ALOX5 P09917 2/20 0.39
PTGES O14684 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
DRD2 P14416 2/20 0.38
ADRA1D P25100 2/20 0.38
HTR2A P28223 2/20 0.38
ADRA1A P35348 2/20 0.38
ADRA1B P35368 2/20 0.38
HTR6 P50406 2/20 0.38
HSD17B10 Q99714 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
SCHEMBL4377984 0.85 LTB4R (0.42) KDM4ETSHRALDH1A1LMNASMN1; SMN2
SCHEMBL7990838 0.84 KDM4E (0.35) KDM4ETSHRALDH1A1LMNASMN1; SMN2
SCHEMBL7988365 0.83 MEN1 (0.48) KDM4EALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL4392060 0.80 ALDH1A1 (0.49) KDM4ETSHRALDH1A1SMN1; SMN2KMT2A
SCHEMBL7994413 0.80 HCAR2 (0.41) HSD17B10
SCHEMBL4383478 0.80 CHRNB2 (0.47) DRD2ADRA1DADRA1AADRA1B
SCHEMBL7989019 0.79 LMNA (0.54) LMNAHTR1AHTR7ALOX5PPARG
SCHEMBL7976920 0.79 CYP2D6 (0.40) KDM4EALDH1A1SMN1; SMN2PPARGPPARA
SCHEMBL8934785 0.79 KDM4E (0.36) KDM4ETSHRALDH1A1LMNAKMT2A
SCHEMBL8934840 0.79 LTB4R (0.40) TSHRALDH1A1LMNASMN1; SMN2MEN1

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 7 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-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 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
US-6248765-B1 ANTIINFLAMMATORY AGENTS; HYPOTENSIVE AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICAL (FR) 2001-06-19 US 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