SCHEMBL14922693

SCHEMBL14922693

CC(=O)c1ccc(-c2ccc3c(c2)CN(c2cc(N4CCN(C)CC4)nc(N)n2)CC3)cn1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 10/20 0.58
HRH3 Q9Y5N1 1/20 0.42
HTR3A P46098 1/20 0.42
NUDT1 P36639 1/20 0.41

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
SCHEMBL3001496 0.92 HRH4 (0.58) HRH4HRH3HTR3ANUDT1
SCHEMBL2492711 0.90 HRH4 (0.55) HRH4NUDT1
SCHEMBL2993600 0.86 HRH4 (0.55) HRH4NUDT1
SCHEMBL2515479 0.85 HRH4 (0.50) HRH4NUDT1
SCHEMBL2992854 0.84 HRH4 (0.48) HRH4
SCHEMBL2992853 0.84 HRH4 (0.48) HRH4
SCHEMBL3000217 0.82 HRH4 (0.55) HRH4HRH3HTR3ANUDT1
SCHEMBL15254643 0.82 HRH4 (0.55) HRH4HRH3HTR3ANUDT1
SCHEMBL2516072 0.82 HRH4 (0.55) HRH4HRH3HTR3A
SCHEMBL2536464 0.82 HRH4 (0.51) HRH4

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-8436008-B2 Substituted heterocyclic compounds INCYTE CORPORATION (US) 2013-05-07 US disclosed