SCHEMBL4384776

SCHEMBL4384776

C=CCCCOCCCc1c[nH]cn1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.34
HRH3 Q9Y5N1 2/20 0.34
ADORA1 P30542 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ADORA2A P29274 1/20 0.30
ADORA2B P29275 1/20 0.30

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
SCHEMBL4376130 0.87 POLB (0.31) ALDH1A1
SCHEMBL22541334 0.87 CDK1 (0.32) HRH4HRH3CDK1CCNB1CCNA2
SCHEMBL4379293 0.84
SCHEMBL4379723 0.83 TDP1 (0.40) CDK1CCNB1CCNA2CDK2CCNA1
SCHEMBL4385056 0.81 HRH3 (0.32) HRH3
SCHEMBL7991392 0.80 HRH3 (0.33) HRH3ADORA2AADORA2B
SCHEMBL4386652 0.80 HRH3 (0.31) HRH3
SCHEMBL9999610 0.79
SCHEMBL7991263 0.79 HRH3 (0.33) HRH3
SCHEMBL7977343 0.78 HRH3 (0.32) HRH3

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
EP-0760811-B1 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H3 MODULATORS INST NAT SANTE RECH MED (FR) 2009-11-18 EP claimed
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