SCHEMBL7713555

SCHEMBL7713555

CC(C)c1ccc(Cc2cnc(N)nc2N2CCN(C)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 5/20 0.52
▸ HTR6 P50406 3/20 0.43
▸ HRH3 Q9Y5N1 2/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ LMNA P02545 1/20 0.42

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
SCHEMBL7714507 0.88 HRH4 (0.40) HRH4LMNA
SCHEMBL7712449 0.88 HTR6 (0.56) HRH4HTR6HRH3KCNH2
SCHEMBL7712453 0.88 ROCK2 (0.42) HRH4LMNA
SCHEMBL7712452 0.87 LMNA (0.40) HRH4LMNA
SCHEMBL7714282 0.86 HRH4 (0.56) HRH4HTR6HRH3KCNH2
SCHEMBL7708456 0.85 HRH4 (0.55) HRH4HTR6HRH3KCNH2
SCHEMBL7708547 0.85 HTR6 (0.56) HRH4HTR6HRH3KCNH2
SCHEMBL7714603 0.85 HRH4 (0.57) HRH4HTR6HRH3KCNH2
SCHEMBL7716594 0.83 HTR6 (0.58) HRH4HTR6
SCHEMBL7714119 0.80 HRH4 (0.53) HRH4HTR6LMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6440965-B1 Substituted pyrimidine derivatives, their preparation and their use in the treatment of neurodegenerative or neurological disorders of the central nervous system KRENITSKY PHARMACEUTICALS, INC. 2002-08-27 — — US disclosed
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