SCHEMBL4383597

SCHEMBL4383597

COc1ccc(Oc2ccc(OC)c(CCCc3c[nH]cn3)c2)cc1CCCc1c[nH]cn1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
FDFT1 P37268 1/20 0.39
AOC3 Q16853 1/20 0.39
IDO1 P14902 2/20 0.36
QPCTL Q9NXS2 1/20 0.35
P2RX3 P56373 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
SCHEMBL4383603 0.90 ADRA1A (0.42) ADRA1ATAAR1MTNR1AMTNR1BAOC3
SCHEMBL8795928 0.87 ADRA1A (0.41) ADRA1ATAAR1MTNR1AMTNR1BAOC3
SCHEMBL4386723 0.81 KDM4E (0.32)
SCHEMBL4377941 0.76
SCHEMBL4386727 0.75 PPARG (0.32)
SCHEMBL4391797 0.74 GABRA1 (0.32)
SCHEMBL7987297 0.73 HRH3 (0.54)
SCHEMBL4380953 0.72 HRH3 (0.35)
SCHEMBL225124 0.72 TAAR1 (0.49) TAAR1MTNR1AMTNR1BAOC3IDO1
SCHEMBL5322896 0.71 HRH4 (0.32)

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
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