SCHEMBL4384692

SCHEMBL4384692

C(=CCCc1c[nH]cn1)CCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 14/20 0.40
KCNH2 Q12809 1/20 0.35
EGFR P00533 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34

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
SCHEMBL4394413 1.00 GPR52 (0.40) GPR52KCNH2EGFRTAAR1
SCHEMBL7620595 1.00 GPR52 (0.40) GPR52KCNH2EGFRTAAR1
SCHEMBL1753940 0.84 KCNH2 (0.50) KCNH2TAAR1
SCHEMBL10743482 0.81 HTR2A (0.42) KCNH2
SCHEMBL4390050 0.79 HRH3 (0.45)
SCHEMBL4387562 0.79 EGFR (0.39) GPR52EGFR
SCHEMBL4387560 0.79 EGFR (0.39) GPR52EGFR
SCHEMBL6967935 0.79 KCNH2 (0.42) KCNH2TAAR1
SCHEMBL6180571 0.77 SIGMAR1 (0.50) KCNH2
SCHEMBL7762166 0.75 GPR52 (0.57) GPR52TAAR1

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 5 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
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